----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:52:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.898641215684691 1.096181016970073 6.616902996666660 b -1.898641215684688 1.096181016970073 6.616902996666660 c 0.000000000000002 -2.192362033940149 6.616902996666660 Atomic positions (fractional): *1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *2 S 0.74004795591670 0.74004795591670 0.74004795591670 32.065 3 S 0.25995204408330 0.25995204408330 0.25995204408330 32.065 *4 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.797282431369379 0.000000000000000 0.000000000000000 b -1.898641215684690 3.288543050910222 0.000000000000000 c 0.000000000000000 0.000000000000000 19.850708990000001 Atomic positions (fractional): *1 Na 0.33333333333333 0.66666666666667 0.16666666666667 22.990 > 1 2 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 3 Na 0.66666666666667 0.33333333333333 0.83333333333333 22.990 > 1 *4 S 0.66666666666667 0.33333333333333 0.07338128925004 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.25995204408330 32.065 > 3 6 S 0.33333333333333 0.66666666666667 0.40671462258337 32.065 > 2 7 S 0.66666666666667 0.33333333333333 0.59328537741663 32.065 > 3 8 S 0.00000000000000 0.00000000000000 0.74004795591670 32.065 > 2 9 S 0.33333333333333 0.66666666666667 0.92661871074996 32.065 > 3 *10 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 4 11 In 0.66666666666667 0.33333333333333 0.33333333333333 114.818 > 4 12 In 0.33333333333333 0.66666666666667 0.66666666666667 114.818 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.391847294108137 0.000000000000000 0.000000000000000 b -5.695923647054070 9.865629152730666 0.000000000000000 c 0.000000000000000 0.000000000000000 19.850708990000001 Atomic positions (fractional): *1 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 2 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 3 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 4 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 5 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 6 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 7 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 8 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 9 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 12 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 14 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 15 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 16 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 17 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 18 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 19 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 20 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 21 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 22 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 23 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 24 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 25 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 26 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 27 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 *28 S 0.22222222222222 0.11111111111111 0.07338128925004 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.07338128925004 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.07338128925004 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.07338128925004 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.07338128925004 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.07338128925004 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.07338128925004 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.07338128925004 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.07338128925004 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.25995204408330 32.065 > 3 38 S 0.33333333333333 0.00000000000000 0.25995204408330 32.065 > 3 39 S 0.66666666666667 0.00000000000000 0.25995204408330 32.065 > 3 40 S 0.00000000000000 0.33333333333333 0.25995204408330 32.065 > 3 41 S 0.33333333333333 0.33333333333333 0.25995204408330 32.065 > 3 42 S 0.66666666666667 0.33333333333333 0.25995204408330 32.065 > 3 43 S 0.00000000000000 0.66666666666667 0.25995204408330 32.065 > 3 44 S 0.33333333333333 0.66666666666667 0.25995204408330 32.065 > 3 45 S 0.66666666666667 0.66666666666667 0.25995204408330 32.065 > 3 46 S 0.11111111111111 0.22222222222222 0.40671462258337 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.40671462258337 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.40671462258337 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.40671462258337 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.40671462258337 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.40671462258337 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.40671462258337 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.40671462258337 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.40671462258337 32.065 > 2 55 S 0.22222222222222 0.11111111111111 0.59328537741663 32.065 > 3 56 S 0.55555555555556 0.11111111111111 0.59328537741663 32.065 > 3 57 S 0.88888888888889 0.11111111111111 0.59328537741663 32.065 > 3 58 S 0.22222222222222 0.44444444444444 0.59328537741663 32.065 > 3 59 S 0.55555555555556 0.44444444444444 0.59328537741663 32.065 > 3 60 S 0.88888888888889 0.44444444444444 0.59328537741663 32.065 > 3 61 S 0.22222222222222 0.77777777777778 0.59328537741663 32.065 > 3 62 S 0.55555555555556 0.77777777777778 0.59328537741663 32.065 > 3 63 S 0.88888888888889 0.77777777777778 0.59328537741663 32.065 > 3 64 S 0.00000000000000 0.00000000000000 0.74004795591670 32.065 > 2 65 S 0.33333333333333 0.00000000000000 0.74004795591670 32.065 > 2 66 S 0.66666666666667 0.00000000000000 0.74004795591670 32.065 > 2 67 S 0.00000000000000 0.33333333333333 0.74004795591670 32.065 > 2 68 S 0.33333333333333 0.33333333333333 0.74004795591670 32.065 > 2 69 S 0.66666666666667 0.33333333333333 0.74004795591670 32.065 > 2 70 S 0.00000000000000 0.66666666666667 0.74004795591670 32.065 > 2 71 S 0.33333333333333 0.66666666666667 0.74004795591670 32.065 > 2 72 S 0.66666666666667 0.66666666666667 0.74004795591670 32.065 > 2 73 S 0.11111111111111 0.22222222222222 0.92661871074996 32.065 > 3 74 S 0.44444444444444 0.22222222222222 0.92661871074996 32.065 > 3 75 S 0.77777777777778 0.22222222222222 0.92661871074996 32.065 > 3 76 S 0.11111111111111 0.55555555555556 0.92661871074996 32.065 > 3 77 S 0.44444444444444 0.55555555555556 0.92661871074996 32.065 > 3 78 S 0.77777777777778 0.55555555555556 0.92661871074996 32.065 > 3 79 S 0.11111111111111 0.88888888888889 0.92661871074996 32.065 > 3 80 S 0.44444444444444 0.88888888888889 0.92661871074996 32.065 > 3 81 S 0.77777777777778 0.88888888888889 0.92661871074996 32.065 > 3 *82 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 4 83 In 0.33333333333333 0.00000000000000 0.00000000000000 114.818 > 4 84 In 0.66666666666667 0.00000000000000 0.00000000000000 114.818 > 4 85 In 0.00000000000000 0.33333333333333 0.00000000000000 114.818 > 4 86 In 0.33333333333333 0.33333333333333 0.00000000000000 114.818 > 4 87 In 0.66666666666667 0.33333333333333 0.00000000000000 114.818 > 4 88 In 0.00000000000000 0.66666666666667 0.00000000000000 114.818 > 4 89 In 0.33333333333333 0.66666666666667 0.00000000000000 114.818 > 4 90 In 0.66666666666667 0.66666666666667 0.00000000000000 114.818 > 4 91 In 0.22222222222222 0.11111111111111 0.33333333333333 114.818 > 4 92 In 0.55555555555556 0.11111111111111 0.33333333333333 114.818 > 4 93 In 0.88888888888889 0.11111111111111 0.33333333333333 114.818 > 4 94 In 0.22222222222222 0.44444444444444 0.33333333333333 114.818 > 4 95 In 0.55555555555556 0.44444444444444 0.33333333333333 114.818 > 4 96 In 0.88888888888889 0.44444444444444 0.33333333333333 114.818 > 4 97 In 0.22222222222222 0.77777777777778 0.33333333333333 114.818 > 4 98 In 0.55555555555556 0.77777777777778 0.33333333333333 114.818 > 4 99 In 0.88888888888889 0.77777777777778 0.33333333333333 114.818 > 4 100 In 0.11111111111111 0.22222222222222 0.66666666666667 114.818 > 4 101 In 0.44444444444444 0.22222222222222 0.66666666666667 114.818 > 4 102 In 0.77777777777778 0.22222222222222 0.66666666666667 114.818 > 4 103 In 0.11111111111111 0.55555555555556 0.66666666666667 114.818 > 4 104 In 0.44444444444444 0.55555555555556 0.66666666666667 114.818 > 4 105 In 0.77777777777778 0.55555555555556 0.66666666666667 114.818 > 4 106 In 0.11111111111111 0.88888888888889 0.66666666666667 114.818 > 4 107 In 0.44444444444444 0.88888888888889 0.66666666666667 114.818 > 4 108 In 0.77777777777778 0.88888888888889 0.66666666666667 114.818 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8892477 0.0000000 0.0000000 0.0000000 6.8892477 0.0000000 0.0000000 0.0000000 4.8700875 -------------------------- Born effective charges -------------------------- 1 Na 1.1316422 0.0000000 0.0000000 0.0000000 1.1316422 0.0000000 0.0000000 0.0000000 1.7342023 2 S -2.5579165 -0.0000000 0.0000000 0.0000000 -2.5579166 0.0000000 0.0000000 0.0000000 -1.7500112 3 S -2.5579165 -0.0000000 0.0000000 0.0000000 -2.5579166 0.0000000 0.0000000 0.0000000 -1.7500112 4 In 3.9841909 0.0000000 0.0000000 0.0000000 3.9841909 0.0000000 0.0000000 0.0000000 1.7658201 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 166 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.143 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.150 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 166 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:52:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:52:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.898641215684691 1.096181016970073 6.616902996666660 b -1.898641215684688 1.096181016970073 6.616902996666660 c 0.000000000000002 -2.192362033940149 6.616902996666660 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 S 0.74004795591670 0.74004795591670 0.74004795591670 32.065 3 S 0.25995204408330 0.25995204408330 0.25995204408330 32.065 4 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.391847294108137 0.000000000000000 0.000000000000000 b -5.695923647054070 9.865629152730666 0.000000000000000 c 0.000000000000000 0.000000000000000 19.850708990000001 Atomic positions (fractional): 1 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 2 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 3 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 4 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 5 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 6 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 7 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 8 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 9 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 12 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 14 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 15 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 16 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 17 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 18 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 19 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 20 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 21 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 22 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 23 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 24 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 25 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 26 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 27 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 28 S 0.22222222222222 0.11111111111111 0.07338128925004 32.065 > 28 29 S 0.55555555555556 0.11111111111111 0.07338128925004 32.065 > 28 30 S 0.88888888888889 0.11111111111111 0.07338128925004 32.065 > 28 31 S 0.22222222222222 0.44444444444444 0.07338128925004 32.065 > 28 32 S 0.55555555555556 0.44444444444444 0.07338128925004 32.065 > 28 33 S 0.88888888888889 0.44444444444444 0.07338128925004 32.065 > 28 34 S 0.22222222222222 0.77777777777778 0.07338128925004 32.065 > 28 35 S 0.55555555555556 0.77777777777778 0.07338128925004 32.065 > 28 36 S 0.88888888888889 0.77777777777778 0.07338128925004 32.065 > 28 37 S 0.00000000000000 0.00000000000000 0.25995204408330 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.25995204408330 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.25995204408330 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.25995204408330 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.25995204408330 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.25995204408330 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.25995204408330 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.25995204408330 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.25995204408330 32.065 > 37 46 S 0.11111111111111 0.22222222222222 0.40671462258337 32.065 > 28 47 S 0.44444444444444 0.22222222222222 0.40671462258337 32.065 > 28 48 S 0.77777777777778 0.22222222222222 0.40671462258337 32.065 > 28 49 S 0.11111111111111 0.55555555555556 0.40671462258337 32.065 > 28 50 S 0.44444444444444 0.55555555555556 0.40671462258337 32.065 > 28 51 S 0.77777777777778 0.55555555555556 0.40671462258337 32.065 > 28 52 S 0.11111111111111 0.88888888888889 0.40671462258337 32.065 > 28 53 S 0.44444444444444 0.88888888888889 0.40671462258337 32.065 > 28 54 S 0.77777777777778 0.88888888888889 0.40671462258337 32.065 > 28 55 S 0.22222222222222 0.11111111111111 0.59328537741663 32.065 > 37 56 S 0.55555555555556 0.11111111111111 0.59328537741663 32.065 > 37 57 S 0.88888888888889 0.11111111111111 0.59328537741663 32.065 > 37 58 S 0.22222222222222 0.44444444444444 0.59328537741663 32.065 > 37 59 S 0.55555555555556 0.44444444444444 0.59328537741663 32.065 > 37 60 S 0.88888888888889 0.44444444444444 0.59328537741663 32.065 > 37 61 S 0.22222222222222 0.77777777777778 0.59328537741663 32.065 > 37 62 S 0.55555555555556 0.77777777777778 0.59328537741663 32.065 > 37 63 S 0.88888888888889 0.77777777777778 0.59328537741663 32.065 > 37 64 S 0.00000000000000 0.00000000000000 0.74004795591670 32.065 > 28 65 S 0.33333333333333 0.00000000000000 0.74004795591670 32.065 > 28 66 S 0.66666666666667 0.00000000000000 0.74004795591670 32.065 > 28 67 S 0.00000000000000 0.33333333333333 0.74004795591670 32.065 > 28 68 S 0.33333333333333 0.33333333333333 0.74004795591670 32.065 > 28 69 S 0.66666666666667 0.33333333333333 0.74004795591670 32.065 > 28 70 S 0.00000000000000 0.66666666666667 0.74004795591670 32.065 > 28 71 S 0.33333333333333 0.66666666666667 0.74004795591670 32.065 > 28 72 S 0.66666666666667 0.66666666666667 0.74004795591670 32.065 > 28 73 S 0.11111111111111 0.22222222222222 0.92661871074996 32.065 > 37 74 S 0.44444444444444 0.22222222222222 0.92661871074996 32.065 > 37 75 S 0.77777777777778 0.22222222222222 0.92661871074996 32.065 > 37 76 S 0.11111111111111 0.55555555555556 0.92661871074996 32.065 > 37 77 S 0.44444444444444 0.55555555555556 0.92661871074996 32.065 > 37 78 S 0.77777777777778 0.55555555555556 0.92661871074996 32.065 > 37 79 S 0.11111111111111 0.88888888888889 0.92661871074996 32.065 > 37 80 S 0.44444444444444 0.88888888888889 0.92661871074996 32.065 > 37 81 S 0.77777777777778 0.88888888888889 0.92661871074996 32.065 > 37 82 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 82 83 In 0.33333333333333 0.00000000000000 0.00000000000000 114.818 > 82 84 In 0.66666666666667 0.00000000000000 0.00000000000000 114.818 > 82 85 In 0.00000000000000 0.33333333333333 0.00000000000000 114.818 > 82 86 In 0.33333333333333 0.33333333333333 0.00000000000000 114.818 > 82 87 In 0.66666666666667 0.33333333333333 0.00000000000000 114.818 > 82 88 In 0.00000000000000 0.66666666666667 0.00000000000000 114.818 > 82 89 In 0.33333333333333 0.66666666666667 0.00000000000000 114.818 > 82 90 In 0.66666666666667 0.66666666666667 0.00000000000000 114.818 > 82 91 In 0.22222222222222 0.11111111111111 0.33333333333333 114.818 > 82 92 In 0.55555555555556 0.11111111111111 0.33333333333333 114.818 > 82 93 In 0.88888888888889 0.11111111111111 0.33333333333333 114.818 > 82 94 In 0.22222222222222 0.44444444444444 0.33333333333333 114.818 > 82 95 In 0.55555555555556 0.44444444444444 0.33333333333333 114.818 > 82 96 In 0.88888888888889 0.44444444444444 0.33333333333333 114.818 > 82 97 In 0.22222222222222 0.77777777777778 0.33333333333333 114.818 > 82 98 In 0.55555555555556 0.77777777777778 0.33333333333333 114.818 > 82 99 In 0.88888888888889 0.77777777777778 0.33333333333333 114.818 > 82 100 In 0.11111111111111 0.22222222222222 0.66666666666667 114.818 > 82 101 In 0.44444444444444 0.22222222222222 0.66666666666667 114.818 > 82 102 In 0.77777777777778 0.22222222222222 0.66666666666667 114.818 > 82 103 In 0.11111111111111 0.55555555555556 0.66666666666667 114.818 > 82 104 In 0.44444444444444 0.55555555555556 0.66666666666667 114.818 > 82 105 In 0.77777777777778 0.55555555555556 0.66666666666667 114.818 > 82 106 In 0.11111111111111 0.88888888888889 0.66666666666667 114.818 > 82 107 In 0.44444444444444 0.88888888888889 0.66666666666667 114.818 > 82 108 In 0.77777777777778 0.88888888888889 0.66666666666667 114.818 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8892477 0.0000000 0.0000000 0.0000000 6.8892477 0.0000000 0.0000000 0.0000000 4.8700875 -------------------------- Born effective charges -------------------------- 1 Na 1.1316422 0.0000000 0.0000000 0.0000000 1.1316422 0.0000000 0.0000000 0.0000000 1.7342023 2 S -2.5579165 -0.0000000 0.0000000 0.0000000 -2.5579166 0.0000000 0.0000000 0.0000000 -1.7500112 3 S -2.5579165 -0.0000000 0.0000000 0.0000000 -2.5579166 0.0000000 0.0000000 0.0000000 -1.7500112 4 In 3.9841909 0.0000000 0.0000000 0.0000000 3.9841909 0.0000000 0.0000000 0.0000000 1.7658201 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:52:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:52:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.898641215684691 1.096181016970073 6.616902996666660 b -1.898641215684688 1.096181016970073 6.616902996666660 c 0.000000000000002 -2.192362033940149 6.616902996666660 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 S 0.74004795591670 0.74004795591670 0.74004795591670 32.065 3 S 0.25995204408330 0.25995204408330 0.25995204408330 32.065 4 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.391847294108137 0.000000000000000 0.000000000000000 b -5.695923647054070 9.865629152730666 0.000000000000000 c 0.000000000000000 0.000000000000000 19.850708990000001 Atomic positions (fractional): 1 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 2 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 3 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 4 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 5 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 6 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 7 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 8 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 9 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 12 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 14 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 15 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 16 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 17 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 18 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 19 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 20 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 21 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 22 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 23 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 24 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 25 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 26 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 27 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 28 S 0.22222222222222 0.11111111111111 0.07338128925004 32.065 > 28 29 S 0.55555555555556 0.11111111111111 0.07338128925004 32.065 > 28 30 S 0.88888888888889 0.11111111111111 0.07338128925004 32.065 > 28 31 S 0.22222222222222 0.44444444444444 0.07338128925004 32.065 > 28 32 S 0.55555555555556 0.44444444444444 0.07338128925004 32.065 > 28 33 S 0.88888888888889 0.44444444444444 0.07338128925004 32.065 > 28 34 S 0.22222222222222 0.77777777777778 0.07338128925004 32.065 > 28 35 S 0.55555555555556 0.77777777777778 0.07338128925004 32.065 > 28 36 S 0.88888888888889 0.77777777777778 0.07338128925004 32.065 > 28 37 S 0.00000000000000 0.00000000000000 0.25995204408330 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.25995204408330 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.25995204408330 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.25995204408330 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.25995204408330 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.25995204408330 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.25995204408330 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.25995204408330 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.25995204408330 32.065 > 37 46 S 0.11111111111111 0.22222222222222 0.40671462258337 32.065 > 28 47 S 0.44444444444444 0.22222222222222 0.40671462258337 32.065 > 28 48 S 0.77777777777778 0.22222222222222 0.40671462258337 32.065 > 28 49 S 0.11111111111111 0.55555555555556 0.40671462258337 32.065 > 28 50 S 0.44444444444444 0.55555555555556 0.40671462258337 32.065 > 28 51 S 0.77777777777778 0.55555555555556 0.40671462258337 32.065 > 28 52 S 0.11111111111111 0.88888888888889 0.40671462258337 32.065 > 28 53 S 0.44444444444444 0.88888888888889 0.40671462258337 32.065 > 28 54 S 0.77777777777778 0.88888888888889 0.40671462258337 32.065 > 28 55 S 0.22222222222222 0.11111111111111 0.59328537741663 32.065 > 37 56 S 0.55555555555556 0.11111111111111 0.59328537741663 32.065 > 37 57 S 0.88888888888889 0.11111111111111 0.59328537741663 32.065 > 37 58 S 0.22222222222222 0.44444444444444 0.59328537741663 32.065 > 37 59 S 0.55555555555556 0.44444444444444 0.59328537741663 32.065 > 37 60 S 0.88888888888889 0.44444444444444 0.59328537741663 32.065 > 37 61 S 0.22222222222222 0.77777777777778 0.59328537741663 32.065 > 37 62 S 0.55555555555556 0.77777777777778 0.59328537741663 32.065 > 37 63 S 0.88888888888889 0.77777777777778 0.59328537741663 32.065 > 37 64 S 0.00000000000000 0.00000000000000 0.74004795591670 32.065 > 28 65 S 0.33333333333333 0.00000000000000 0.74004795591670 32.065 > 28 66 S 0.66666666666667 0.00000000000000 0.74004795591670 32.065 > 28 67 S 0.00000000000000 0.33333333333333 0.74004795591670 32.065 > 28 68 S 0.33333333333333 0.33333333333333 0.74004795591670 32.065 > 28 69 S 0.66666666666667 0.33333333333333 0.74004795591670 32.065 > 28 70 S 0.00000000000000 0.66666666666667 0.74004795591670 32.065 > 28 71 S 0.33333333333333 0.66666666666667 0.74004795591670 32.065 > 28 72 S 0.66666666666667 0.66666666666667 0.74004795591670 32.065 > 28 73 S 0.11111111111111 0.22222222222222 0.92661871074996 32.065 > 37 74 S 0.44444444444444 0.22222222222222 0.92661871074996 32.065 > 37 75 S 0.77777777777778 0.22222222222222 0.92661871074996 32.065 > 37 76 S 0.11111111111111 0.55555555555556 0.92661871074996 32.065 > 37 77 S 0.44444444444444 0.55555555555556 0.92661871074996 32.065 > 37 78 S 0.77777777777778 0.55555555555556 0.92661871074996 32.065 > 37 79 S 0.11111111111111 0.88888888888889 0.92661871074996 32.065 > 37 80 S 0.44444444444444 0.88888888888889 0.92661871074996 32.065 > 37 81 S 0.77777777777778 0.88888888888889 0.92661871074996 32.065 > 37 82 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 82 83 In 0.33333333333333 0.00000000000000 0.00000000000000 114.818 > 82 84 In 0.66666666666667 0.00000000000000 0.00000000000000 114.818 > 82 85 In 0.00000000000000 0.33333333333333 0.00000000000000 114.818 > 82 86 In 0.33333333333333 0.33333333333333 0.00000000000000 114.818 > 82 87 In 0.66666666666667 0.33333333333333 0.00000000000000 114.818 > 82 88 In 0.00000000000000 0.66666666666667 0.00000000000000 114.818 > 82 89 In 0.33333333333333 0.66666666666667 0.00000000000000 114.818 > 82 90 In 0.66666666666667 0.66666666666667 0.00000000000000 114.818 > 82 91 In 0.22222222222222 0.11111111111111 0.33333333333333 114.818 > 82 92 In 0.55555555555556 0.11111111111111 0.33333333333333 114.818 > 82 93 In 0.88888888888889 0.11111111111111 0.33333333333333 114.818 > 82 94 In 0.22222222222222 0.44444444444444 0.33333333333333 114.818 > 82 95 In 0.55555555555556 0.44444444444444 0.33333333333333 114.818 > 82 96 In 0.88888888888889 0.44444444444444 0.33333333333333 114.818 > 82 97 In 0.22222222222222 0.77777777777778 0.33333333333333 114.818 > 82 98 In 0.55555555555556 0.77777777777778 0.33333333333333 114.818 > 82 99 In 0.88888888888889 0.77777777777778 0.33333333333333 114.818 > 82 100 In 0.11111111111111 0.22222222222222 0.66666666666667 114.818 > 82 101 In 0.44444444444444 0.22222222222222 0.66666666666667 114.818 > 82 102 In 0.77777777777778 0.22222222222222 0.66666666666667 114.818 > 82 103 In 0.11111111111111 0.55555555555556 0.66666666666667 114.818 > 82 104 In 0.44444444444444 0.55555555555556 0.66666666666667 114.818 > 82 105 In 0.77777777777778 0.55555555555556 0.66666666666667 114.818 > 82 106 In 0.11111111111111 0.88888888888889 0.66666666666667 114.818 > 82 107 In 0.44444444444444 0.88888888888889 0.66666666666667 114.818 > 82 108 In 0.77777777777778 0.88888888888889 0.66666666666667 114.818 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.8892477 0.0000000 0.0000000 0.0000000 6.8892477 0.0000000 0.0000000 0.0000000 4.8700875 -------------------------- Born effective charges -------------------------- 1 Na 1.1316422 0.0000000 0.0000000 0.0000000 1.1316422 0.0000000 0.0000000 0.0000000 1.7342023 2 S -2.5579165 -0.0000000 0.0000000 0.0000000 -2.5579166 0.0000000 0.0000000 0.0000000 -1.7500112 3 S -2.5579165 -0.0000000 0.0000000 0.0000000 -2.5579166 0.0000000 0.0000000 0.0000000 -1.7500112 4 In 3.9841909 0.0000000 0.0000000 0.0000000 3.9841909 0.0000000 0.0000000 0.0000000 1.7658201 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.95, Number of G-points: 313, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.707 ( 0.000 0.000 0.000) 0.000 3.707 ( 0.000 0.000 0.000) 0.000 4.933 ( 0.000 0.000 0.000) 0.000 4.933 ( 0.000 0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 7.764 ( 0.000 0.000 0.000) 0.000 8.543 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 18.805 10.857 1.653) 21.776 0.529 ( 22.087 12.752 2.021) 25.584 1.075 ( 43.876 25.332 6.640) 51.097 3.693 ( -1.749 -1.010 4.289) 4.740 3.710 ( 1.570 0.906 -5.670) 5.953 4.960 ( 2.937 1.695 -5.007) 6.047 5.087 ( 8.830 5.098 4.445) 11.123 5.553 ( 7.033 4.060 2.625) 8.535 5.580 ( 2.532 1.462 2.946) 4.151 7.649 ( -4.908 -2.834 -14.679) 15.735 8.517 ( -2.462 -1.422 1.105) 3.050 8.781 ( -3.851 -2.223 3.020) 5.375 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 21.928 12.660 -0.831) 25.334 1.041 ( 21.124 12.196 0.772) 24.404 2.068 ( 38.830 22.418 2.445) 44.904 3.658 ( -2.773 -1.601 7.100) 7.788 3.773 ( 5.961 3.442 -6.160) 9.237 5.030 ( 4.739 2.736 -7.868) 9.584 5.192 ( -1.136 -0.656 6.034) 6.175 5.685 ( 5.372 3.102 4.612) 7.730 5.934 ( 22.371 12.916 4.619) 26.241 7.424 ( -11.399 -6.581 -0.752) 13.184 8.436 ( -4.475 -2.584 -0.482) 5.190 8.672 ( -4.526 -2.613 -7.214) 8.908 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 21.527 12.429 -3.266) 25.071 1.514 ( 19.092 11.023 -1.058) 22.071 2.854 ( 27.522 15.890 -5.830) 32.310 3.616 ( -2.916 -1.683 8.166) 8.833 3.976 ( 13.098 7.562 -0.423) 15.130 5.121 ( 5.213 3.010 -8.069) 10.067 5.143 ( -4.354 -2.514 8.822) 10.154 5.861 ( 8.146 4.703 4.529) 10.440 6.458 ( 16.942 9.782 1.461) 19.618 7.180 ( -7.441 -4.296 10.391) 13.483 8.310 ( -5.370 -3.101 -4.841) 7.867 8.534 ( -4.413 -2.548 -10.706) 11.857 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 17.018 9.826 -5.232) 20.336 1.917 ( 15.676 9.051 -3.017) 18.351 3.307 ( 15.050 8.689 -10.528) 20.319 3.580 ( -2.406 -1.389 7.957) 8.428 4.373 ( 18.528 10.697 3.463) 21.673 5.064 ( -5.196 -3.000 11.833) 13.268 5.216 ( 4.913 2.836 -6.637) 8.731 6.087 ( 9.797 5.657 3.421) 11.819 6.530 ( -7.858 -4.537 3.384) 9.684 7.329 ( 13.002 7.507 11.982) 19.209 8.164 ( -4.646 -2.683 -8.770) 10.281 8.411 ( -2.656 -1.533 -10.488) 10.927 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 9.317 5.379 -5.698) 12.174 2.219 ( 11.053 6.381 -4.255) 13.454 3.559 ( -1.514 -0.874 6.776) 6.998 3.584 ( 12.590 7.269 -6.807) 16.053 4.751 ( 10.596 6.118 1.516) 12.329 4.989 ( -3.868 -2.233 10.949) 11.825 5.304 ( 4.195 2.422 -4.682) 6.737 6.326 ( 9.416 5.436 2.196) 11.092 6.357 ( -6.425 -3.709 8.879) 11.571 7.597 ( 4.531 2.616 3.304) 6.188 8.076 ( 0.657 0.379 -7.244) 7.284 8.361 ( 1.426 0.823 -7.412) 7.593 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 2.591 1.496 -3.807) 4.842 2.406 ( 6.142 3.546 -3.791) 8.042 3.554 ( -0.621 -0.359 4.593) 4.649 3.880 ( 14.096 8.138 -2.965) 16.544 4.795 ( -7.198 -4.156 13.804) 16.113 5.001 ( 2.744 1.584 -7.518) 8.159 5.376 ( 2.951 1.704 -2.713) 4.356 6.323 ( 0.466 0.269 9.919) 9.934 6.525 ( 6.796 3.924 1.192) 7.938 7.563 ( -4.801 -2.772 -4.022) 6.849 8.130 ( 3.874 2.237 -3.656) 5.777 8.423 ( 4.315 2.491 -2.280) 5.479 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 0.132 0.076 -1.185) 1.195 2.489 ( 1.891 1.092 -1.511) 2.655 3.556 ( -0.122 -0.071 1.618) 1.624 4.198 ( 12.247 7.071 -2.136) 14.302 4.607 ( -10.287 -5.939 7.533) 14.065 5.016 ( 0.697 0.403 -4.517) 4.588 5.419 ( 1.082 0.625 -0.879) 1.527 6.391 ( 1.770 1.022 4.695) 5.121 6.639 ( 2.476 1.429 0.376) 2.883 7.442 ( -3.088 -1.783 -2.652) 4.443 8.192 ( 1.734 1.001 -1.342) 2.410 8.499 ( 1.912 1.104 -0.277) 2.225 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -0.000 20.428 11.122) 23.259 0.569 ( 0.000 24.765 9.548) 26.542 1.086 ( 0.000 49.753 8.991) 50.558 3.636 ( 0.000 -4.026 -6.782) 7.887 3.753 ( -0.000 3.515 2.722) 4.446 5.018 ( -0.000 5.334 6.450) 8.369 5.059 ( 0.000 9.705 -1.094) 9.766 5.521 ( 0.000 5.921 -3.289) 6.773 5.548 ( 0.000 1.717 -3.381) 3.792 7.545 ( 0.000 -0.302 -30.100) 30.102 8.524 ( -0.000 -2.766 2.194) 3.530 8.862 ( -0.000 -5.563 15.125) 16.115 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 8.873 20.612 6.076) 23.249 0.960 ( 10.725 22.716 5.635) 25.745 1.835 ( 23.067 40.070 6.402) 46.676 3.619 ( 5.522 -3.293 -6.915) 9.442 3.776 ( -3.096 4.699 3.944) 6.872 5.083 ( -2.504 9.829 -3.565) 10.751 5.193 ( 4.221 2.087 5.969) 7.603 5.507 ( 5.289 -2.493 0.537) 5.872 5.833 ( 14.207 17.229 -1.026) 22.355 7.422 ( -0.989 -9.522 -13.997) 16.958 8.472 ( -2.814 -3.894 1.736) 5.109 8.760 ( -8.508 -2.102 3.401) 9.401 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 15.692 18.033 0.147) 23.905 1.400 ( 12.598 19.958 2.584) 23.742 2.611 ( 22.368 28.027 -1.492) 35.889 3.694 ( 1.929 0.733 2.051) 2.910 3.823 ( 6.140 5.389 1.550) 8.315 5.115 ( -0.148 2.574 -3.113) 4.042 5.237 ( -4.242 7.476 2.822) 9.047 5.671 ( 14.481 -3.962 3.455) 15.406 6.302 ( 15.787 16.892 1.270) 23.156 7.251 ( -2.818 -8.638 -0.612) 9.106 8.357 ( -5.613 -4.176 -1.874) 7.243 8.584 ( -8.214 -2.009 -4.899) 9.773 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 16.136 14.126 -3.942) 21.805 1.808 ( 11.534 17.167 0.053) 20.682 3.124 ( 14.060 14.720 -9.104) 22.299 3.691 ( -4.512 3.647 6.162) 8.463 4.153 ( 18.685 9.369 4.075) 21.296 5.098 ( -0.316 -5.487 6.255) 8.327 5.269 ( -3.530 12.940 -3.857) 13.956 5.914 ( 13.921 -0.970 3.700) 14.437 6.560 ( 1.632 -0.959 -0.263) 1.911 7.290 ( 7.870 8.169 10.280) 15.309 8.187 ( -6.382 -4.237 -8.471) 11.421 8.418 ( -5.168 -2.774 -7.249) 9.325 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 11.785 8.548 -5.861) 15.694 2.143 ( 8.485 14.649 -2.157) 17.066 3.412 ( 10.671 7.413 -6.331) 14.454 3.679 ( -4.136 6.281 4.829) 8.938 4.576 ( 16.096 7.296 1.516) 17.737 5.047 ( -2.058 -6.113 11.053) 12.797 5.341 ( -1.441 12.435 -4.974) 13.470 6.126 ( 9.730 -3.901 4.347) 11.348 6.509 ( -2.159 1.335 3.595) 4.401 7.587 ( 5.579 9.865 8.026) 13.888 8.029 ( -1.109 -3.665 -11.114) 11.755 8.313 ( -0.587 -2.092 -6.858) 7.194 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 5.638 3.184 -4.844) 8.086 2.382 ( 4.244 12.115 -3.457) 13.294 3.588 ( 2.509 1.488 4.222) 5.132 3.770 ( 5.925 12.286 -3.310) 14.036 4.828 ( 6.666 0.283 4.057) 7.809 4.968 ( -3.368 -4.920 4.263) 7.330 5.426 ( -1.571 11.593 -4.063) 12.384 6.193 ( 5.463 -8.770 6.741) 12.336 6.612 ( 2.477 12.134 3.448) 12.855 7.611 ( -6.090 -1.357 -3.315) 7.065 8.055 ( 5.415 1.250 -3.926) 6.804 8.332 ( 5.737 -0.077 -3.496) 6.719 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 1.620 0.522 -2.478) 3.006 2.518 ( 0.164 9.510 -2.736) 9.898 3.614 ( -2.255 2.874 4.348) 5.679 4.046 ( 11.745 10.559 -5.663) 16.778 4.752 ( -9.895 -7.992 8.657) 15.386 4.973 ( 3.899 0.597 -2.176) 4.505 5.482 ( -2.998 9.847 -3.308) 10.812 6.233 ( 6.616 -9.044 4.918) 12.237 6.787 ( -0.865 15.350 2.515) 15.579 7.451 ( -4.671 -5.135 -4.809) 8.445 8.140 ( 4.096 0.292 -1.473) 4.363 8.434 ( 5.460 -0.484 -0.929) 5.560 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.650 -0.068 -0.463) 0.801 2.569 ( -3.294 7.224 -0.417) 7.951 3.608 ( -3.125 3.277 1.534) 4.781 4.264 ( 1.838 2.605 -9.498) 10.019 4.541 ( -3.342 -2.243 1.827) 4.420 5.030 ( 1.166 -0.142 7.092) 7.189 5.503 ( -3.989 8.286 -2.139) 9.442 6.242 ( 4.432 -10.547 -0.995) 11.483 6.863 ( -9.155 14.180 -0.289) 16.881 7.378 ( 3.683 -3.412 -0.079) 5.021 8.184 ( 1.513 -1.716 1.061) 2.521 8.480 ( 1.737 -2.686 -0.527) 3.242 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 0.063 -0.899 1.438) 1.697 2.543 ( -7.203 4.862 2.225) 8.970 3.583 ( -2.938 2.438 -1.877) 4.254 4.063 ( -13.241 -4.408 -2.847) 14.243 4.649 ( 8.462 3.878 -9.156) 13.057 5.045 ( -1.817 -2.550 10.236) 10.705 5.495 ( -5.562 7.438 -0.875) 9.328 6.178 ( 2.353 -9.749 -5.924) 11.648 6.763 ( -13.280 7.969 -2.018) 15.619 7.491 ( 7.623 1.640 2.928) 8.329 8.164 ( -1.541 -3.152 3.255) 4.786 8.441 ( -1.465 -4.745 0.437) 4.986 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -4.188 -3.356 3.402) 6.354 2.418 ( -12.272 1.736 3.686) 12.931 3.543 ( -1.955 0.055 -4.178) 4.613 3.798 ( -12.944 -0.222 1.764) 13.065 4.765 ( 3.919 0.449 -7.308) 8.304 4.959 ( -5.405 -5.231 1.915) 7.761 5.447 ( -7.313 6.128 0.012) 9.541 6.129 ( 4.621 -7.172 -5.847) 10.343 6.579 ( -12.717 4.304 -2.694) 13.693 7.623 ( 1.809 2.697 -0.725) 3.327 8.101 ( -2.260 -3.513 5.038) 6.544 8.372 ( -0.479 -4.514 4.362) 6.295 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -12.797 -6.505 4.121) 14.935 2.170 ( -17.259 -1.482 3.063) 17.592 3.460 ( -5.935 -4.618 2.273) 7.856 3.647 ( -7.616 6.471 -0.928) 10.037 4.571 ( -17.314 -10.247 0.686) 20.131 4.932 ( 6.365 0.145 -11.364) 13.026 5.379 ( -7.893 6.480 2.176) 10.442 6.092 ( -1.127 -9.709 -2.361) 10.055 6.471 ( -0.344 4.651 -3.937) 6.104 7.505 ( -14.115 -1.221 -8.364) 16.452 8.121 ( 4.632 -0.370 7.114) 8.497 8.391 ( 3.595 -1.580 8.346) 9.223 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -20.835 -8.108 3.062) 22.566 1.816 ( -21.056 -3.059 1.625) 21.339 3.210 ( -20.187 -6.349 7.427) 22.427 3.627 ( -2.254 7.243 -6.175) 9.782 4.128 ( -16.859 -11.138 -0.887) 20.225 5.022 ( 6.932 0.025 -7.723) 10.378 5.316 ( -9.246 8.486 4.416) 13.305 5.881 ( -7.000 -12.150 -2.741) 14.288 6.558 ( 1.238 -1.096 -0.522) 1.733 7.184 ( -11.722 1.105 -10.691) 15.904 8.249 ( 6.062 1.359 4.107) 7.447 8.502 ( 5.625 0.645 8.970) 10.608 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -24.524 -6.510 1.337) 25.408 1.390 ( -24.235 -2.625 0.552) 24.383 2.625 ( -38.836 -7.340 1.632) 39.557 3.650 ( -0.547 5.490 -6.260) 8.344 3.837 ( -6.488 -6.976 3.948) 10.312 5.112 ( 4.862 -0.111 -2.745) 5.584 5.248 ( -10.769 9.088 4.346) 14.747 5.633 ( -4.155 -13.107 -4.018) 14.325 6.286 ( -23.737 -3.780 -1.968) 24.117 7.234 ( 12.567 3.615 -3.862) 13.635 8.372 ( 5.366 1.101 1.102) 5.587 8.640 ( 5.391 1.398 5.868) 8.091 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -24.218 -0.000 0.000) 24.218 0.931 ( -26.045 -0.000 0.000) 26.045 1.801 ( -48.240 -0.000 0.000) 48.240 3.666 ( 0.543 0.000 -0.000) 0.543 3.745 ( -2.098 -0.000 0.000) 2.098 5.116 ( -10.115 -0.000 0.000) 10.115 5.148 ( -1.611 -0.000 0.000) 1.611 5.504 ( -0.729 -0.000 0.000) 0.729 5.839 ( -21.545 -0.000 0.000) 21.545 7.497 ( 13.751 0.000 -0.000) 13.751 8.463 ( 4.176 0.000 -0.000) 4.176 8.741 ( 3.743 0.000 -0.000) 3.743 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 0.000 23.590 7.570) 24.775 1.127 ( 0.000 24.022 8.755) 25.568 2.116 ( 0.000 45.933 6.776) 46.430 3.489 ( 0.000 -4.460 -8.915) 9.968 3.882 ( -0.000 6.836 3.545) 7.701 5.133 ( -0.000 -3.119 1.232) 3.354 5.169 ( -0.000 3.855 4.813) 6.166 5.608 ( 0.000 7.386 -2.250) 7.721 5.813 ( 0.000 25.584 -7.071) 26.544 7.256 ( 0.000 -12.785 -14.268) 19.158 8.459 ( -0.000 -4.910 1.826) 5.239 8.841 ( -0.000 -3.851 6.678) 7.709 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 3.533 23.238 4.231) 23.883 1.463 ( 6.960 22.281 6.386) 24.200 2.665 ( 8.948 36.814 1.421) 37.913 3.514 ( 10.018 -1.711 -5.928) 11.766 3.939 ( -3.148 8.606 4.780) 10.335 5.087 ( 0.122 -6.206 1.868) 6.482 5.332 ( 12.571 2.301 1.824) 12.909 5.561 ( -10.029 12.284 -2.394) 16.038 6.237 ( 13.527 22.073 -2.527) 26.011 7.098 ( 3.321 -13.830 -8.440) 16.539 8.385 ( -2.918 -5.195 0.406) 5.972 8.731 ( -9.237 -2.829 2.319) 9.935 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 8.101 19.275 -0.715) 20.920 1.835 ( 8.514 20.163 3.878) 22.228 3.084 ( 6.973 19.898 -7.203) 22.281 3.721 ( 9.315 2.043 -0.233) 9.540 4.056 ( 4.602 14.613 6.954) 16.825 5.036 ( 1.206 -7.698 4.286) 8.893 5.524 ( -7.732 12.499 -2.244) 14.867 5.625 ( 16.420 2.708 0.497) 16.649 6.518 ( 2.221 2.063 -1.243) 3.276 7.167 ( 14.973 3.317 -0.468) 15.343 8.252 ( -6.528 -4.513 -2.358) 8.279 8.517 ( -10.891 -2.350 -2.270) 11.370 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 8.774 12.697 -4.195) 15.993 2.183 ( 7.165 18.772 1.738) 20.168 3.325 ( 6.978 10.481 -6.093) 13.988 3.812 ( -0.694 4.954 2.043) 5.404 4.406 ( 12.863 12.310 2.079) 17.926 5.008 ( 1.720 -7.185 7.828) 10.764 5.529 ( -4.588 11.271 -1.160) 12.224 5.928 ( 12.788 3.355 0.970) 13.256 6.490 ( 1.256 -4.039 -0.172) 4.233 7.551 ( 15.780 10.582 3.525) 19.324 8.046 ( -9.969 -3.867 -6.665) 12.600 8.326 ( -6.149 -2.594 -3.739) 7.650 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 6.066 6.407 -4.484) 9.897 2.464 ( 3.440 17.227 -0.373) 17.571 3.518 ( 7.161 4.713 -0.262) 8.577 3.872 ( -0.851 10.547 0.532) 10.594 4.685 ( 9.931 3.201 -1.376) 10.525 4.979 ( -1.397 -5.752 6.667) 8.916 5.588 ( -1.865 11.485 0.346) 11.640 6.086 ( 2.373 0.056 2.936) 3.776 6.587 ( 10.096 3.844 -0.328) 10.808 7.768 ( -11.857 2.140 -1.217) 12.109 7.916 ( 11.012 1.120 -4.115) 11.809 8.241 ( 0.895 -1.802 -2.645) 3.324 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 2.580 2.704 -2.748) 4.639 2.646 ( -0.833 14.904 -1.381) 14.991 3.647 ( 3.311 0.941 3.659) 5.023 4.020 ( 3.705 14.204 -3.324) 15.051 4.815 ( -0.049 -7.779 9.550) 12.317 4.892 ( 1.159 0.626 -6.293) 6.429 5.670 ( -3.721 13.045 -0.716) 13.584 6.098 ( 1.230 -3.700 3.425) 5.189 6.847 ( 10.413 8.873 0.144) 13.681 7.534 ( -11.424 -1.830 -5.079) 12.636 8.059 ( 4.671 0.461 -0.831) 4.766 8.304 ( 7.035 -1.635 -0.500) 7.240 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 0.494 1.344 -1.141) 1.831 2.736 ( -4.089 12.533 -0.591) 13.196 3.684 ( -0.898 0.545 2.486) 2.698 4.224 ( 4.763 11.649 -8.566) 15.224 4.620 ( -8.685 -6.984 0.998) 11.189 4.999 ( 5.492 -0.177 6.265) 8.333 5.705 ( -7.003 13.543 -2.890) 15.518 6.090 ( 2.677 -6.508 1.936) 7.298 7.104 ( 5.616 12.844 0.685) 14.035 7.309 ( -8.533 -4.111 -3.902) 10.245 8.121 ( 3.374 -1.920 1.041) 4.020 8.385 ( 4.826 -4.004 -0.531) 6.293 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -0.046 0.524 -0.148) 0.546 2.755 ( -7.148 10.233 1.201) 12.540 3.649 ( -3.002 -0.997 -0.874) 3.281 4.231 ( -9.627 2.555 -9.041) 13.451 4.541 ( 4.485 1.553 -2.535) 5.381 5.080 ( 0.611 -1.562 11.402) 11.525 5.680 ( -7.033 8.642 -5.227) 12.307 6.075 ( 0.628 -2.304 0.232) 2.400 7.071 ( -13.887 2.948 -2.258) 14.375 7.361 ( 9.770 5.088 0.905) 11.052 8.141 ( 1.265 -3.564 2.800) 4.705 8.384 ( 1.430 -6.378 -0.602) 6.564 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -1.331 -1.015 0.927) 1.914 2.688 ( -11.678 6.928 2.581) 13.822 3.567 ( -2.777 -2.578 -3.467) 5.136 4.034 ( -12.040 3.250 -2.651) 12.750 4.652 ( 6.275 1.553 -5.917) 8.763 5.045 ( -6.004 -3.412 8.933) 11.291 5.603 ( -5.235 2.258 -6.699) 8.796 6.075 ( -2.258 4.785 0.248) 5.297 6.827 ( -13.609 -1.782 -1.346) 13.791 7.582 ( 7.381 7.292 -0.434) 10.384 8.112 ( -1.532 -4.480 3.810) 6.077 8.321 ( 0.386 -7.194 1.073) 7.284 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -6.645 -2.863 1.746) 7.443 2.492 ( -17.062 2.716 2.275) 17.426 3.492 ( -2.132 -2.070 -1.986) 3.574 3.874 ( -10.302 5.050 0.038) 11.473 4.732 ( 0.463 -1.185 1.025) 1.634 4.849 ( -10.013 -4.487 -3.333) 11.467 5.535 ( -2.340 2.555 -4.278) 5.505 6.072 ( -4.738 4.003 0.770) 6.250 6.572 ( -9.795 -3.952 -1.459) 10.662 7.692 ( -5.780 6.521 -5.984) 10.571 8.050 ( 2.130 -5.360 6.157) 8.436 8.311 ( 4.336 -3.789 3.938) 6.976 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -15.457 -3.091 1.390) 15.824 2.175 ( -20.686 0.095 0.962) 20.709 3.411 ( -6.316 -1.528 1.376) 6.642 3.775 ( -6.784 4.985 -0.560) 8.437 4.395 ( -23.559 -6.101 0.724) 24.347 4.869 ( 7.305 -0.400 -4.734) 8.714 5.541 ( -2.204 6.804 -0.309) 7.158 5.920 ( -12.148 -5.956 0.289) 13.533 6.482 ( 2.995 -0.636 -1.050) 3.236 7.462 ( -18.523 1.121 -4.932) 19.201 8.148 ( 7.512 -0.368 3.061) 8.120 8.407 ( 7.106 -0.922 3.784) 8.103 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -22.680 -0.000 0.000) 22.680 1.793 ( -22.657 -0.000 0.000) 22.657 3.167 ( -23.191 -0.000 0.000) 23.191 3.717 ( -3.554 -0.000 0.000) 3.554 3.978 ( -16.321 -0.000 0.000) 16.321 4.991 ( 7.425 0.000 -0.000) 7.425 5.573 ( -1.820 -0.000 0.000) 1.820 5.593 ( -16.174 -0.000 0.000) 16.174 6.531 ( -2.878 -0.000 0.000) 2.878 7.174 ( -8.685 -0.000 0.000) 8.685 8.276 ( 6.410 0.000 -0.000) 6.410 8.542 ( 7.304 0.000 -0.000) 7.304 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 0.000 22.836 3.752) 23.142 1.647 ( 0.000 21.593 6.696) 22.607 2.990 ( 0.000 35.433 1.142) 35.451 3.366 ( 0.000 -1.818 -6.744) 6.984 4.082 ( 0.000 11.221 4.405) 12.055 5.021 ( -0.000 -8.030 3.161) 8.630 5.205 ( 0.000 -0.096 -3.396) 3.397 5.834 ( 0.000 13.464 3.482) 13.907 6.338 ( 0.000 27.563 -6.217) 28.255 6.872 ( 0.000 -16.235 -7.752) 17.991 8.357 ( -0.000 -5.357 0.015) 5.357 8.791 ( -0.000 -4.353 3.040) 5.309 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 0.758 20.016 0.674) 20.042 1.926 ( 5.557 19.146 4.646) 20.470 3.218 ( -2.053 16.731 -5.609) 17.765 3.524 ( 13.448 6.032 -2.683) 14.981 4.229 ( -0.657 17.395 6.476) 18.573 4.951 ( 0.452 -8.264 4.904) 9.620 5.305 ( 12.423 -1.689 -4.891) 13.457 5.884 ( -9.423 16.211 2.139) 18.873 6.520 ( -1.079 -1.228 -1.631) 2.309 6.907 ( 16.220 8.274 -6.088) 19.200 8.280 ( -2.810 -4.527 -1.008) 5.423 8.673 ( -8.550 -3.913 0.775) 9.435 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 2.728 14.091 -2.886) 14.640 2.250 ( 8.005 17.920 3.373) 19.914 3.338 ( 2.136 10.593 -4.253) 11.613 3.758 ( 9.319 2.170 -2.880) 9.992 4.446 ( 1.666 16.532 3.103) 16.903 4.929 ( 2.479 -4.402 7.958) 9.426 5.504 ( 12.119 -3.264 -1.526) 12.643 5.925 ( -2.031 15.043 -0.666) 15.194 6.445 ( -1.106 -3.706 -0.673) 3.926 7.326 ( 18.609 9.960 -3.420) 21.382 8.160 ( -6.358 -2.463 -1.682) 7.023 8.455 ( -11.160 -2.700 -1.165) 11.541 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 3.832 8.317 -3.736) 9.890 2.569 ( 6.107 17.352 2.273) 18.535 3.465 ( 4.057 4.927 -0.627) 6.413 3.921 ( 6.230 5.975 -1.267) 8.725 4.588 ( 3.576 3.243 -2.015) 5.232 4.978 ( -0.072 1.407 6.304) 6.460 5.631 ( 5.301 -0.518 5.546) 7.689 6.126 ( 5.758 13.530 -3.208) 15.050 6.431 ( 3.393 0.265 -2.156) 4.029 7.673 ( 14.488 0.465 -5.138) 15.379 8.004 ( -9.966 3.209 0.313) 10.475 8.266 ( -6.402 -1.669 -1.161) 6.717 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 2.813 4.634 -2.399) 5.928 2.809 ( 1.069 16.100 0.762) 16.153 3.576 ( 5.332 -0.104 2.468) 5.877 4.099 ( 4.200 11.473 -0.779) 12.242 4.670 ( 7.328 -4.564 1.039) 8.695 4.945 ( -5.925 1.350 -1.803) 6.339 5.753 ( 4.940 2.646 7.392) 9.276 6.216 ( -8.675 11.560 -2.914) 14.744 6.629 ( 17.349 1.345 -3.641) 17.778 7.691 ( -5.815 -2.396 -6.908) 9.342 8.002 ( 2.209 4.125 2.168) 5.157 8.202 ( 1.207 -1.524 0.539) 2.017 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.843 2.860 -0.954) 3.130 2.942 ( -3.258 14.081 0.331) 14.456 3.653 ( 3.457 -2.592 2.183) 4.841 4.279 ( 2.543 12.598 -3.091) 13.219 4.687 ( -4.122 -6.812 2.678) 8.401 4.889 ( 4.626 0.641 -2.484) 5.290 5.903 ( 3.713 7.241 6.035) 10.131 6.104 ( -11.172 4.727 -3.616) 12.659 6.928 ( 15.347 -0.256 -2.905) 15.622 7.536 ( -10.289 5.898 -4.185) 12.576 8.058 ( 1.953 -0.817 1.491) 2.590 8.246 ( 5.128 -4.404 0.778) 6.804 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -0.691 1.805 -0.309) 1.958 2.994 ( -6.142 12.191 1.356) 13.718 3.643 ( -0.452 -4.974 -0.949) 5.084 4.397 ( -3.247 10.595 -8.116) 13.736 4.509 ( -4.343 -3.929 -0.747) 5.904 5.028 ( 7.635 -1.824 7.756) 11.035 5.894 ( -12.923 3.389 -5.428) 14.421 6.088 ( 3.876 8.032 4.986) 10.218 7.078 ( 5.576 -8.155 -2.603) 10.216 7.467 ( -6.686 14.931 -1.953) 16.475 8.080 ( 2.174 -3.039 2.403) 4.443 8.265 ( 3.580 -7.479 -0.152) 8.293 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -1.352 0.609 -0.017) 1.483 2.972 ( -10.123 9.161 2.289) 13.844 3.551 ( -1.708 -5.803 -3.533) 7.005 4.265 ( -11.418 4.032 -3.925) 12.729 4.551 ( 5.097 1.196 -3.122) 6.095 5.114 ( 0.168 -1.678 8.541) 8.706 5.683 ( -8.836 -1.588 -6.301) 10.969 6.242 ( -1.602 14.003 3.387) 14.495 6.949 ( -6.682 -10.345 -1.651) 12.425 7.581 ( 2.290 13.123 -1.235) 13.379 8.086 ( 0.856 -3.696 2.951) 4.806 8.224 ( 1.683 -8.339 -0.425) 8.518 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -2.889 -0.435 0.307) 2.938 2.819 ( -15.390 3.606 1.408) 15.869 3.481 ( -0.205 -2.494 -2.108) 3.272 4.097 ( -10.764 2.695 -1.038) 11.144 4.641 ( 5.372 0.238 -1.994) 5.735 5.039 ( -9.719 -1.463 4.164) 10.674 5.538 ( -2.809 -1.673 -4.362) 5.452 6.312 ( -8.148 13.375 1.869) 15.773 6.677 ( -10.181 -10.523 -0.888) 14.669 7.770 ( 5.213 10.836 -2.768) 12.339 8.010 ( -4.227 -8.200 3.265) 9.786 8.207 ( 3.963 -3.368 0.786) 5.260 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -7.924 -0.000 0.000) 7.924 2.531 ( -19.044 -0.000 0.000) 19.044 3.461 ( -1.053 -0.000 0.000) 1.053 3.935 ( -8.998 -0.000 0.000) 8.998 4.739 ( 6.224 0.000 -0.000) 6.224 4.769 ( -20.012 -0.000 0.000) 20.012 5.532 ( 2.795 0.000 -0.000) 2.795 6.177 ( -15.526 -0.000 0.000) 15.526 6.478 ( -4.121 -0.000 0.000) 4.121 7.762 ( -14.481 -0.000 0.000) 14.481 7.997 ( 9.439 0.000 -0.000) 9.439 8.285 ( 6.231 0.000 -0.000) 6.231 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 0.000 17.393 -0.602) 17.404 2.063 ( 0.000 15.638 2.119) 15.781 3.354 ( 0.000 3.712 -0.507) 3.746 3.465 ( 0.000 13.008 -7.507) 15.019 4.450 ( 0.000 20.092 5.377) 20.799 4.896 ( -0.000 -5.764 7.984) 9.847 5.152 ( 0.000 -0.872 -7.861) 7.909 6.154 ( 0.000 14.509 5.091) 15.377 6.414 ( -0.000 -16.695 0.032) 16.695 6.901 ( 0.000 23.021 -8.819) 24.653 8.260 ( -0.000 -3.264 -1.086) 3.440 8.705 ( -0.000 -5.233 0.320) 5.243 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -1.604 11.750 -3.447) 12.350 2.280 ( 7.517 13.497 0.671) 15.463 3.411 ( -0.071 7.983 -0.123) 7.985 3.600 ( 8.081 2.911 -5.660) 10.286 4.600 ( -1.889 7.143 0.574) 7.411 4.939 ( 0.800 8.866 11.208) 14.313 5.231 ( 11.901 -1.265 -6.152) 13.456 6.107 ( -8.051 -1.650 2.311) 8.537 6.423 ( 4.504 4.028 2.067) 6.387 7.173 ( 9.381 15.002 -7.099) 19.064 8.213 ( -2.518 -0.814 -1.042) 2.844 8.585 ( -7.023 -4.662 -0.826) 8.470 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 0.822 7.094 -4.024) 8.197 2.584 ( 10.787 12.934 1.216) 16.886 3.466 ( 0.385 2.549 -1.160) 2.827 3.794 ( 10.996 4.387 -1.820) 11.978 4.581 ( -1.241 -1.857 -0.598) 2.312 5.090 ( -1.995 12.259 5.465) 13.569 5.458 ( 13.780 -0.027 1.926) 13.914 6.040 ( 4.512 -2.669 -0.618) 5.279 6.539 ( -2.351 12.925 -0.373) 13.143 7.430 ( 11.305 2.582 -5.668) 12.907 8.156 ( -4.585 2.805 -0.308) 5.384 8.394 ( -9.127 -2.544 -0.909) 9.519 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 2.552 4.531 -2.404) 5.729 2.895 ( 7.913 13.153 1.394) 15.413 3.493 ( 3.225 -2.108 1.049) 3.993 4.043 ( 11.361 6.246 -0.675) 12.982 4.547 ( 1.238 -3.847 -0.763) 4.112 5.115 ( -7.855 7.975 0.205) 11.196 5.674 ( 8.152 0.995 7.983) 11.453 6.223 ( 17.825 -1.131 -4.643) 18.455 6.576 ( -8.693 13.909 -3.012) 16.676 7.574 ( 8.664 -4.646 -5.184) 11.115 8.112 ( -5.140 5.137 0.822) 7.313 8.241 ( -5.765 -0.641 0.489) 5.821 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 1.975 3.074 -0.807) 3.742 3.108 ( 0.981 12.699 0.293) 12.740 3.548 ( 5.165 -4.094 2.881) 7.193 4.300 ( 8.364 7.972 -0.159) 11.556 4.556 ( 6.681 -6.318 1.270) 9.283 4.992 ( -11.775 4.716 -4.678) 13.520 5.850 ( 7.623 2.771 7.596) 11.112 6.405 ( -8.783 5.584 -2.730) 10.760 6.612 ( 13.895 1.873 -5.337) 15.002 7.634 ( 3.192 0.743 -4.720) 5.746 8.078 ( -3.478 2.216 1.423) 4.363 8.176 ( -1.392 -2.083 1.882) 3.133 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 0.157 1.973 -0.117) 1.983 3.207 ( -3.311 11.526 0.932) 12.028 3.572 ( 1.856 -6.154 0.656) 6.461 4.426 ( 1.828 2.068 -1.688) 3.235 4.651 ( -3.053 4.051 -0.199) 5.077 4.862 ( 4.131 -2.495 -0.782) 4.889 6.053 ( 6.261 5.434 3.575) 9.028 6.194 ( -14.046 3.153 -0.580) 14.408 6.852 ( 11.998 -3.016 -4.007) 13.004 7.683 ( -1.930 9.596 -3.458) 10.381 8.048 ( -0.938 -1.086 1.725) 2.243 8.138 ( 1.183 -6.718 1.608) 7.009 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -1.456 0.822 -0.025) 1.672 3.232 ( -7.511 9.238 2.263) 12.119 3.496 ( -0.889 -7.234 -2.419) 7.679 4.452 ( -1.163 -1.248 -0.497) 1.777 4.519 ( -7.760 4.628 -3.598) 9.725 5.031 ( 9.850 -1.425 3.734) 10.630 5.878 ( -15.468 -0.053 -2.241) 15.629 6.327 ( 8.008 8.136 3.470) 11.932 6.897 ( -0.192 -6.188 -2.552) 6.697 7.733 ( -3.680 10.814 -1.490) 11.520 8.042 ( 1.133 -1.944 1.790) 2.875 8.097 ( 2.847 -7.654 0.037) 8.166 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -1.975 -0.000 0.000) 1.975 3.097 ( -13.118 -0.000 0.000) 13.118 3.452 ( 0.700 0.000 -0.000) 0.700 4.299 ( -10.815 -0.000 0.000) 10.815 4.552 ( 4.476 0.000 -0.000) 4.476 5.126 ( 0.418 0.000 -0.000) 0.418 5.637 ( -10.444 -0.000 0.000) 10.444 6.487 ( 1.190 0.000 -0.000) 1.190 6.756 ( -8.355 -0.000 0.000) 8.355 7.757 ( 0.907 0.000 -0.000) 0.907 8.032 ( -1.494 -0.000 0.000) 1.494 8.119 ( 3.848 0.000 -0.000) 3.848 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 0.000 8.157 -5.096) 9.618 2.291 ( 0.000 7.461 -2.955) 8.025 3.513 ( 0.000 -0.341 -8.384) 8.391 3.516 ( -0.000 9.636 6.632) 11.697 4.631 ( -0.000 -2.715 0.203) 2.722 5.074 ( 0.000 -1.076 -9.432) 9.493 5.147 ( -0.000 20.291 12.378) 23.768 6.107 ( -0.000 -13.226 2.982) 13.558 6.466 ( 0.000 12.605 4.345) 13.333 7.232 ( 0.000 13.996 -8.319) 16.282 8.236 ( 0.000 1.827 -0.742) 1.972 8.588 ( -0.000 -5.692 -1.597) 5.912 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -1.859 3.825 -5.270) 6.773 2.468 ( 11.870 5.933 -2.877) 13.579 3.463 ( -0.319 -2.539 -5.114) 5.719 3.702 ( 6.089 8.831 5.539) 12.072 4.580 ( -1.770 -3.071 0.081) 3.545 5.131 ( 9.594 0.457 -7.734) 12.331 5.387 ( 0.325 16.941 9.546) 19.448 5.973 ( -1.905 -8.200 3.139) 8.984 6.651 ( 4.300 11.622 2.590) 12.660 7.333 ( 2.118 5.601 -7.139) 9.318 8.247 ( -2.077 4.248 -0.376) 4.743 8.480 ( -4.853 -4.565 -1.783) 6.897 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 1.808 2.570 -2.983) 4.333 2.776 ( 16.269 5.965 -0.779) 17.346 3.424 ( 1.402 -3.866 -2.470) 4.797 3.919 ( 7.992 6.239 2.789) 10.515 4.522 ( -1.534 -2.420 -0.447) 2.900 5.292 ( 2.901 6.246 -1.969) 7.162 5.573 ( 5.567 7.177 6.130) 10.958 5.940 ( 6.507 -5.294 -0.637) 8.413 6.823 ( -1.420 13.537 -0.229) 13.614 7.373 ( 4.899 -3.802 -4.733) 7.802 8.241 ( -3.865 4.634 -0.075) 6.034 8.343 ( -5.919 -1.820 -0.750) 6.238 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 3.130 1.970 -0.966) 3.822 3.109 ( 12.340 7.394 -0.299) 14.389 3.427 ( 3.904 -4.136 1.260) 5.825 4.141 ( 12.076 3.266 0.486) 12.519 4.473 ( -0.912 -2.590 -0.533) 2.797 5.267 ( -11.907 6.621 -1.137) 13.671 5.773 ( 7.373 3.450 7.039) 10.762 6.121 ( 20.211 -4.746 -5.017) 21.358 6.813 ( -12.707 9.720 -2.214) 16.151 7.459 ( 11.113 -3.600 -2.449) 11.935 8.196 ( -5.530 2.829 -0.124) 6.213 8.239 ( -5.032 -0.228 0.966) 5.129 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 2.075 1.111 -0.122) 2.357 3.319 ( 3.312 8.321 -1.507) 9.082 3.465 ( 3.730 -5.678 2.824) 7.357 4.407 ( 5.795 2.847 -0.765) 6.502 4.463 ( 11.770 -3.009 1.167) 12.204 5.047 ( -16.369 2.387 -2.230) 16.692 5.963 ( 8.868 3.395 3.782) 10.221 6.370 ( 5.442 -3.563 -1.689) 6.720 6.668 ( -2.787 3.529 -2.390) 5.092 7.641 ( 10.547 1.317 -1.775) 10.776 8.114 ( -5.496 0.865 -0.053) 5.564 8.148 ( -5.303 -1.478 1.579) 5.727 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -0.004 -0.000 0.000) 0.004 3.411 ( -3.646 -0.000 0.000) 3.646 3.427 ( 1.378 0.000 -0.000) 1.378 4.421 ( 1.026 0.000 -0.000) 1.026 4.766 ( -15.354 -0.000 0.000) 15.354 4.780 ( 17.498 0.000 -0.000) 17.498 6.173 ( -17.016 -0.000 0.000) 17.016 6.177 ( 11.801 0.000 -0.000) 11.801 6.803 ( 8.378 0.000 -0.000) 8.378 7.800 ( 4.841 0.000 -0.000) 4.841 8.042 ( -2.480 -0.000 0.000) 2.480 8.046 ( -3.642 -0.000 0.000) 3.642 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 0.000 0.028 -6.442) 6.442 2.360 ( 0.000 2.519 -3.767) 4.532 3.404 ( 0.000 -4.842 -5.190) 7.098 3.781 ( -0.000 9.967 8.544) 13.128 4.578 ( -0.000 -1.384 -0.037) 1.385 4.986 ( 0.000 -1.447 -8.593) 8.714 5.601 ( -0.000 15.789 7.444) 17.456 5.930 ( -0.000 -6.893 4.434) 8.196 6.707 ( 0.000 8.550 2.766) 8.986 7.362 ( 0.000 4.769 -6.397) 7.979 8.312 ( 0.000 5.082 -0.312) 5.092 8.464 ( 0.000 -4.949 -2.176) 5.406 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 0.506 -0.091 -3.621) 3.657 2.510 ( 14.533 1.131 -2.771) 14.838 3.348 ( 0.981 -4.350 -3.332) 5.566 3.919 ( 2.322 7.010 5.888) 9.445 4.540 ( -2.525 -0.842 -0.538) 2.716 5.086 ( 14.329 0.075 -5.364) 15.300 5.722 ( -3.830 10.125 4.433) 11.698 5.869 ( -1.424 -4.135 3.365) 5.518 6.861 ( 7.111 7.159 1.629) 10.222 7.343 ( -3.589 0.426 -4.565) 5.823 8.340 ( -2.240 4.151 -0.173) 4.720 8.388 ( -2.595 -3.038 -1.506) 4.270 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 3.356 0.504 -0.996) 3.537 2.838 ( 20.657 1.289 -0.667) 20.708 3.338 ( 2.709 -2.318 -1.156) 3.748 4.036 ( 4.260 2.854 1.839) 5.447 4.485 ( -2.291 -0.866 -0.428) 2.486 5.374 ( 12.259 2.866 -0.929) 12.624 5.729 ( -0.823 4.180 2.711) 5.050 5.841 ( 2.733 -3.590 -0.607) 4.552 7.062 ( 0.212 9.909 0.520) 9.925 7.239 ( 1.688 -6.825 -2.383) 7.424 8.311 ( -4.400 1.621 -0.824) 4.761 8.314 ( -3.625 -0.323 0.441) 3.666 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 3.584 0.000 -0.000) 3.584 3.185 ( 15.872 0.000 -0.000) 15.872 3.382 ( 3.387 0.000 -0.000) 3.387 4.177 ( 11.230 0.000 -0.000) 11.230 4.443 ( -1.764 -0.000 0.000) 1.764 5.336 ( -13.610 -0.000 0.000) 13.610 5.865 ( 4.873 0.000 -0.000) 4.873 6.021 ( 23.099 0.000 -0.000) 23.099 6.908 ( -15.479 -0.000 0.000) 15.479 7.411 ( 14.451 0.000 -0.000) 14.451 8.225 ( -6.095 -0.000 0.000) 6.095 8.240 ( -4.816 -0.000 0.000) 4.816 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 0.000 -1.358 -2.808) 3.119 2.369 ( 0.000 0.559 -1.523) 1.622 3.293 ( 0.000 -2.743 -1.820) 3.292 3.981 ( -0.000 4.327 4.146) 5.992 4.570 ( 0.000 0.226 -0.230) 0.323 4.914 ( 0.000 -0.939 -3.940) 4.050 5.837 ( 0.000 3.113 0.258) 3.124 5.884 ( -0.000 0.461 4.437) 4.461 6.839 ( 0.000 3.026 0.937) 3.168 7.385 ( 0.000 1.063 -2.375) 2.602 8.376 ( 0.000 -2.106 -0.948) 2.310 8.395 ( 0.000 2.425 -0.213) 2.434 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 2.186 0.000 -0.000) 2.186 2.509 ( 14.959 0.000 -0.000) 14.959 3.286 ( 1.344 0.000 -0.000) 1.344 4.018 ( 0.955 0.000 -0.000) 0.955 4.530 ( -3.240 -0.000 0.000) 3.240 5.069 ( 16.690 0.000 -0.000) 16.690 5.829 ( -1.438 -0.000 0.000) 1.438 5.851 ( -5.412 -0.000 0.000) 5.412 6.943 ( 9.355 0.000 -0.000) 9.355 7.326 ( -6.680 -0.000 0.000) 6.680 8.350 ( -1.528 -0.000 0.000) 1.528 8.385 ( -2.475 -0.000 0.000) 2.475 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( -0.000 0.000 25.791) 25.791 0.262 ( -0.000 0.000 25.791) 25.791 0.437 ( -0.000 0.000 42.982) 42.982 3.690 ( 0.000 -0.000 -3.375) 3.375 3.690 ( 0.000 -0.000 -3.375) 3.375 4.945 ( -0.000 0.000 2.494) 2.494 4.945 ( -0.000 0.000 2.494) 2.494 5.543 ( 0.000 -0.000 -0.647) 0.647 5.543 ( 0.000 -0.000 -0.647) 0.647 6.511 ( 0.000 -0.000 -5.973) 5.973 8.561 ( -0.000 0.000 3.345) 3.345 9.271 ( 0.000 -0.000 -0.581) 0.581 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 12.150 7.015 16.000) 21.280 0.604 ( 17.981 10.382 12.063) 24.013 1.203 ( 38.124 22.011 17.586) 47.404 3.644 ( 0.899 0.519 -7.132) 7.207 3.720 ( 0.465 0.269 0.857) 1.012 4.920 ( 0.577 0.333 -2.739) 2.818 5.145 ( 9.150 5.283 6.790) 12.559 5.567 ( 8.541 4.931 0.204) 9.865 5.607 ( 3.730 2.154 2.306) 4.886 7.336 ( 15.861 9.157 -39.193) 43.261 8.542 ( -2.897 -1.672 3.697) 4.986 8.878 ( -15.087 -8.710 11.716) 20.994 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 18.748 10.824 4.167) 22.046 1.074 ( 19.029 10.986 5.489) 22.648 2.109 ( 34.453 19.892 5.102) 40.109 3.717 ( -1.368 -0.790 4.433) 4.706 3.719 ( 7.634 4.407 -4.234) 9.779 4.953 ( 3.576 2.065 -7.076) 8.193 5.257 ( -0.509 -0.294 6.525) 6.552 5.731 ( 5.897 3.405 4.352) 8.081 5.974 ( 22.583 13.038 3.289) 26.283 7.357 ( -2.363 -1.364 -12.272) 12.571 8.435 ( -7.058 -4.075 0.544) 8.168 8.624 ( -8.559 -4.941 -2.238) 10.133 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 19.877 11.476 -2.602) 23.099 1.516 ( 17.516 10.113 1.389) 20.273 2.793 ( 23.608 13.630 -6.246) 27.967 3.691 ( -2.317 -1.337 6.510) 7.038 3.992 ( 15.724 9.078 3.648) 18.519 5.032 ( 5.334 3.079 -9.236) 11.101 5.234 ( -3.066 -1.770 8.828) 9.512 5.910 ( 7.944 4.586 5.115) 10.502 6.465 ( 14.887 8.595 -0.050) 17.190 7.273 ( -0.947 -0.547 7.546) 7.625 8.233 ( -7.873 -4.545 -10.198) 13.661 8.450 ( -5.608 -3.238 -5.409) 8.437 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 16.383 9.459 -6.247) 19.922 1.893 ( 14.517 8.381 -1.808) 16.859 3.204 ( 15.360 8.868 -9.561) 20.149 3.658 ( -2.387 -1.378 7.370) 7.869 4.420 ( 17.475 10.089 5.670) 20.960 5.133 ( 5.842 3.373 -9.359) 11.536 5.183 ( -4.198 -2.424 11.479) 12.461 6.130 ( 9.184 5.302 4.830) 11.652 6.559 ( -4.448 -2.568 2.315) 5.633 7.452 ( 10.122 5.844 12.482) 17.100 8.041 ( -3.927 -2.267 -15.700) 16.341 8.324 ( -3.074 -1.775 -6.501) 7.406 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 9.893 5.711 -6.822) 13.305 2.177 ( 10.598 6.119 -3.878) 12.837 3.512 ( 14.103 8.142 -7.190) 17.801 3.631 ( -2.034 -1.174 7.432) 7.795 4.772 ( 10.705 6.180 2.535) 12.618 5.102 ( -6.495 -3.750 11.232) 13.505 5.238 ( 5.464 3.154 -8.265) 10.398 6.358 ( 8.712 5.030 4.053) 10.845 6.442 ( -4.942 -2.853 7.805) 9.669 7.609 ( -0.454 -0.262 -1.354) 1.452 8.003 ( 4.107 2.371 -6.546) 8.083 8.296 ( 2.994 1.729 -5.367) 6.384 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 3.891 2.246 -4.699) 6.501 2.365 ( 6.653 3.841 -4.215) 8.762 3.611 ( -1.754 -1.013 6.692) 6.992 3.826 ( 14.582 8.419 -7.314) 18.358 4.921 ( -7.342 -4.239 -3.660) 9.234 4.960 ( 1.024 0.591 13.718) 13.769 5.328 ( 4.297 2.481 -6.703) 8.340 6.410 ( -0.463 -0.268 7.015) 7.036 6.548 ( 6.133 3.541 3.214) 7.777 7.508 ( -4.741 -2.737 -6.728) 8.674 8.102 ( 4.603 2.657 -1.813) 5.615 8.401 ( 5.507 3.180 -1.965) 6.656 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 1.308 0.755 -2.025) 2.527 2.467 ( 3.184 1.838 -2.733) 4.581 3.590 ( -1.800 -1.039 4.953) 5.371 4.114 ( 11.560 6.674 -13.047) 18.665 4.657 ( -11.410 -6.588 1.165) 13.227 5.053 ( 1.797 1.038 11.742) 11.924 5.388 ( 2.423 1.399 -5.082) 5.801 6.413 ( -1.456 -0.841 -0.562) 1.773 6.654 ( 1.856 1.072 2.480) 3.278 7.414 ( -0.804 -0.464 -2.814) 2.963 8.189 ( 2.578 1.488 0.819) 3.087 8.491 ( 2.255 1.302 -1.286) 2.904 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 1.031 0.595 0.281) 1.223 2.496 ( -0.394 -0.228 -0.120) 0.471 3.559 ( -1.863 -1.075 2.070) 2.985 4.138 ( -6.806 -3.929 -13.379) 15.516 4.554 ( 4.085 2.358 -1.997) 5.122 5.115 ( -0.555 -0.320 13.593) 13.608 5.405 ( 0.287 0.166 -3.462) 3.478 6.322 ( -4.224 -2.439 -8.796) 10.057 6.647 ( -3.097 -1.788 1.851) 4.027 7.465 ( 4.652 2.686 1.786) 5.661 8.215 ( -0.982 -0.567 3.111) 3.312 8.497 ( -1.313 -0.758 -0.736) 1.686 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -1.384 -0.799 2.645) 3.090 2.438 ( -5.158 -2.978 2.500) 6.460 3.521 ( -1.220 -0.704 -1.693) 2.202 3.878 ( -10.784 -6.226 -3.559) 12.951 4.681 ( 6.612 3.817 -8.456) 11.393 5.082 ( -6.444 -3.720 8.535) 11.323 5.381 ( -1.500 -0.866 -1.743) 2.457 6.216 ( -0.541 -0.312 -11.078) 11.096 6.526 ( -7.491 -4.325 1.234) 8.737 7.587 ( 3.793 2.190 0.833) 4.458 8.172 ( -3.329 -1.922 4.510) 5.925 8.446 ( -2.381 -1.374 2.298) 3.583 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -8.853 -5.111 3.897) 10.940 2.261 ( -10.997 -6.349 3.908) 13.286 3.497 ( 0.277 0.160 -5.246) 5.256 3.643 ( -9.583 -5.533 4.552) 11.965 4.744 ( -6.433 -3.714 0.054) 7.428 4.888 ( -3.462 -1.999 -8.511) 9.403 5.329 ( -2.653 -1.532 0.179) 3.068 6.268 ( 7.940 4.584 -8.607) 12.575 6.317 ( -10.263 -5.926 0.437) 11.859 7.550 ( -7.953 -4.592 -5.793) 10.858 8.142 ( 0.576 0.333 5.720) 5.759 8.439 ( 0.676 0.391 7.745) 7.784 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -17.256 -9.963 3.349) 20.205 1.952 ( -16.286 -9.403 3.882) 19.202 3.410 ( -14.588 -8.422 9.448) 19.313 3.501 ( 1.830 1.057 -7.639) 7.926 4.353 ( -19.267 -11.124 -0.507) 22.253 4.952 ( 6.196 3.577 -10.088) 12.368 5.262 ( -3.353 -1.936 2.443) 4.578 6.065 ( -10.803 -6.237 -0.804) 12.500 6.493 ( 10.927 6.309 -3.838) 13.188 7.211 ( -15.725 -9.079 -11.387) 21.433 8.226 ( 4.226 2.440 4.116) 6.384 8.522 ( 3.309 1.911 10.848) 11.502 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -21.936 -12.665 2.856) 25.490 1.538 ( -19.890 -11.483 3.538) 23.238 2.911 ( -30.771 -17.766 5.429) 35.944 3.530 ( 2.962 1.710 -8.771) 9.415 3.997 ( -10.688 -6.170 3.363) 12.791 5.063 ( 5.486 3.167 -6.639) 9.176 5.189 ( -4.013 -2.317 5.108) 6.896 5.823 ( -9.010 -5.202 -2.596) 10.722 6.435 ( -19.371 -11.184 -3.145) 22.588 7.070 ( 11.546 6.666 -11.109) 17.354 8.341 ( 4.485 2.589 1.892) 5.513 8.646 ( 3.816 2.203 10.705) 11.576 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -22.261 -12.853 4.129) 26.035 1.060 ( -21.736 -12.549 4.400) 25.481 2.068 ( -40.745 -23.524 2.549) 47.118 3.578 ( 3.592 2.074 -8.575) 9.525 3.835 ( -5.484 -3.166 5.699) 8.520 5.107 ( -4.759 -2.748 7.205) 9.062 5.144 ( 1.899 1.096 -3.178) 3.861 5.641 ( -5.392 -3.113 -4.084) 7.446 5.880 ( -22.256 -12.849 -6.114) 26.416 7.378 ( 14.104 8.143 -9.166) 18.688 8.444 ( 3.813 2.201 1.119) 4.543 8.759 ( 2.824 1.631 9.108) 9.675 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -0.000 15.301 18.050) 23.663 0.704 ( -0.000 20.392 16.336) 26.128 1.238 ( -0.000 41.425 19.798) 45.913 3.560 ( 0.000 -5.264 -8.170) 9.719 3.764 ( 0.000 5.654 -0.637) 5.690 5.062 ( 0.000 10.272 1.344) 10.360 5.086 ( -0.000 6.186 6.898) 9.266 5.494 ( 0.000 2.012 -1.778) 2.685 5.513 ( 0.000 0.946 -3.494) 3.620 7.193 ( 0.000 18.606 -35.208) 39.822 8.557 ( -0.000 -3.307 4.326) 5.445 8.997 ( -0.000 -11.313 10.007) 15.104 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 4.893 17.183 12.288) 21.685 1.040 ( 7.912 21.304 10.037) 24.844 1.919 ( 20.056 35.731 9.429) 42.046 3.548 ( 7.501 -3.387 -6.781) 10.664 3.806 ( -2.172 6.118 1.719) 6.716 5.056 ( -6.624 11.254 -1.671) 13.165 5.252 ( 4.144 1.528 5.408) 6.982 5.513 ( 9.039 -5.445 0.685) 10.574 5.822 ( 17.521 16.687 -0.908) 24.213 7.240 ( 4.330 -1.284 -20.775) 21.260 8.497 ( -3.662 -5.052 3.036) 6.939 8.798 ( -13.084 -4.083 3.540) 14.155 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 12.081 16.728 3.022) 20.854 1.440 ( 10.350 19.545 5.185) 22.716 2.590 ( 18.309 24.565 -2.778) 30.763 3.700 ( 9.121 -0.064 -0.227) 9.124 3.861 ( 3.425 7.919 5.339) 10.146 5.068 ( -2.704 9.583 -5.055) 11.167 5.285 ( -2.401 1.421 5.634) 6.286 5.701 ( 16.167 -5.385 2.330) 17.199 6.312 ( 15.709 15.333 0.690) 21.962 7.222 ( 5.006 -5.112 -5.064) 8.766 8.335 ( -9.523 -4.684 -2.397) 10.880 8.546 ( -11.045 -1.989 -2.606) 11.521 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 14.002 13.734 -3.548) 19.932 1.816 ( 9.518 17.378 1.590) 19.877 3.033 ( 13.208 14.519 -8.823) 21.519 3.746 ( -2.794 2.508 4.444) 5.818 4.207 ( 18.274 8.916 6.459) 21.334 5.115 ( 1.098 4.595 -3.235) 5.726 5.272 ( -4.071 4.591 4.801) 7.791 5.951 ( 14.927 -2.005 3.514) 15.465 6.553 ( 2.859 -0.191 -1.080) 3.062 7.387 ( 12.228 6.357 8.590) 16.240 8.081 ( -10.813 -2.672 -11.932) 16.323 8.362 ( -6.237 -2.635 -4.010) 7.869 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 11.231 9.084 -6.389) 15.795 2.126 ( 6.762 15.154 -1.147) 16.633 3.345 ( 12.058 10.136 -6.694) 17.115 3.733 ( -3.961 4.060 5.505) 7.905 4.598 ( 15.025 4.848 2.631) 16.005 5.141 ( -0.105 -4.943 6.248) 7.968 5.293 ( -3.208 12.844 -3.182) 13.616 6.176 ( 10.685 -3.628 5.254) 12.447 6.541 ( -0.062 0.159 2.484) 2.489 7.663 ( -0.085 7.160 6.367) 9.582 7.903 ( 3.040 -1.141 -13.180) 13.574 8.257 ( -0.962 -1.188 -4.331) 4.593 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 6.283 4.419 -5.593) 9.502 2.350 ( 3.336 12.851 -2.772) 13.563 3.611 ( 8.611 4.255 -0.799) 9.638 3.752 ( -0.275 9.472 0.898) 9.519 4.842 ( 8.922 1.245 -0.597) 9.028 5.039 ( -5.538 -8.673 8.444) 13.312 5.373 ( -2.216 13.459 -5.695) 14.781 6.262 ( 5.724 -9.173 6.714) 12.728 6.644 ( 3.144 10.602 2.834) 11.416 7.556 ( -7.676 -1.662 -7.429) 10.811 8.027 ( 6.234 2.245 -1.501) 6.794 8.304 ( 6.650 1.164 -2.037) 7.051 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 2.491 1.576 -3.255) 4.392 2.490 ( 0.298 10.575 -2.682) 10.914 3.667 ( -2.648 1.667 5.811) 6.600 3.962 ( 9.457 10.531 -10.418) 17.575 4.770 ( -9.569 -7.176 -3.829) 12.559 5.040 ( 5.544 -1.218 13.459) 14.607 5.434 ( -2.899 11.095 -5.789) 12.846 6.274 ( 4.610 -10.155 2.990) 11.547 6.810 ( -1.252 14.486 1.931) 14.668 7.397 ( -3.100 -4.188 -5.713) 7.732 8.136 ( 4.774 0.860 0.752) 4.909 8.423 ( 5.512 -0.101 -1.345) 5.674 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 1.499 0.483 -1.323) 2.057 2.561 ( -2.451 8.434 -1.081) 8.850 3.637 ( -4.366 1.592 4.126) 6.214 4.115 ( 1.847 4.337 -18.052) 18.657 4.558 ( -4.224 -3.300 1.048) 5.462 5.151 ( 1.842 -0.930 15.475) 15.612 5.462 ( -3.145 8.991 -5.730) 11.116 6.220 ( 1.302 -10.444 -3.509) 11.095 6.859 ( -9.675 12.688 -0.192) 15.957 7.376 ( 5.972 -2.295 -0.359) 6.408 8.204 ( 2.187 -1.338 2.874) 3.851 8.470 ( 1.936 -2.410 -1.495) 3.434 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 1.235 -0.711 0.284) 1.453 2.561 ( -6.192 5.820 1.288) 8.595 3.577 ( -4.424 0.520 0.754) 4.517 3.990 ( -8.777 -0.926 -11.007) 14.108 4.586 ( 5.135 2.419 -3.568) 6.704 5.162 ( -3.775 -3.945 12.511) 13.650 5.465 ( -4.223 7.285 -4.859) 9.722 6.113 ( 0.283 -7.498 -6.868) 10.172 6.751 ( -13.016 6.857 -0.298) 14.715 7.509 ( 7.694 1.239 0.631) 7.819 8.202 ( -1.060 -3.031 4.171) 5.264 8.443 ( -0.222 -4.175 -0.062) 4.181 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -3.053 -3.547 1.560) 4.933 2.454 ( -11.759 1.822 3.233) 12.330 3.510 ( -2.790 -0.225 -2.312) 3.630 3.798 ( -9.731 0.982 -1.921) 9.968 4.697 ( 5.932 2.590 -6.039) 8.852 4.997 ( -12.137 -8.212 5.406) 15.619 5.426 ( -5.255 5.473 -4.019) 8.586 6.074 ( 4.415 -3.878 -5.099) 7.780 6.562 ( -13.394 3.454 -0.665) 13.848 7.600 ( -0.670 0.937 -3.811) 3.981 8.152 ( -1.349 -3.154 4.766) 5.872 8.416 ( 2.044 -3.845 4.297) 6.118 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -12.186 -6.962 1.814) 14.151 2.203 ( -17.345 -2.402 3.529) 17.863 3.456 ( -2.307 -1.720 -2.250) 3.653 3.658 ( -9.555 4.051 2.296) 10.629 4.591 ( -20.661 -11.085 3.038) 23.643 4.827 ( 6.931 1.906 -8.872) 11.419 5.382 ( -5.629 6.540 -1.519) 8.762 6.079 ( -0.468 -8.888 -0.337) 8.907 6.434 ( -1.244 5.836 -3.170) 6.757 7.419 ( -15.903 -1.699 -8.507) 18.115 8.176 ( 4.156 -0.492 4.027) 5.808 8.474 ( 5.417 -2.437 7.623) 9.664 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -20.607 -8.866 1.703) 22.498 1.840 ( -21.032 -4.290 3.245) 21.709 3.264 ( -18.653 -8.309 2.833) 20.615 3.574 ( -5.744 8.299 -4.074) 10.884 4.135 ( -15.644 -10.499 2.284) 18.978 4.955 ( 7.323 2.420 -5.070) 9.230 5.347 ( -7.316 8.754 1.365) 11.490 5.863 ( -8.231 -12.843 -0.732) 15.272 6.550 ( 2.198 -0.411 -1.153) 2.515 7.078 ( -13.142 4.287 -10.187) 17.172 8.276 ( 5.451 0.600 1.636) 5.723 8.587 ( 6.588 -2.036 7.458) 10.158 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -23.974 -7.815 2.424) 25.332 1.411 ( -23.947 -4.064 3.736) 24.575 2.645 ( -39.211 -9.166 2.211) 40.329 3.581 ( -1.554 7.967 -7.127) 10.803 3.887 ( -5.442 -7.464 5.406) 10.703 5.086 ( 5.446 2.381 -1.612) 6.158 5.298 ( -10.248 7.989 4.662) 13.805 5.593 ( -4.660 -12.976 -3.750) 14.288 6.263 ( -24.910 -1.748 -2.531) 25.100 7.178 ( 12.780 7.763 -7.057) 16.534 8.380 ( 5.281 0.395 0.658) 5.337 8.695 ( 6.001 -3.314 4.748) 8.339 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -0.000 19.718 11.544) 22.849 1.230 ( -0.000 21.725 11.363) 24.517 2.194 ( 0.000 42.038 7.933) 42.780 3.402 ( 0.000 -4.155 -8.133) 9.133 3.906 ( 0.000 8.103 1.231) 8.196 5.168 ( -0.000 -3.725 5.511) 6.652 5.198 ( -0.000 0.698 0.837) 1.090 5.600 ( 0.000 9.708 0.929) 9.753 5.741 ( 0.000 25.272 -7.061) 26.240 7.104 ( 0.000 -6.432 -15.500) 16.782 8.480 ( -0.000 -6.250 2.423) 6.703 8.889 ( -0.000 -5.055 2.758) 5.758 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 1.609 20.247 6.881) 21.445 1.536 ( 5.590 20.925 7.888) 23.050 2.667 ( 5.516 32.948 -1.266) 33.430 3.464 ( 12.462 -0.422 -3.996) 13.093 3.984 ( -1.738 9.949 4.128) 10.911 5.124 ( -0.655 -5.518 5.292) 7.674 5.331 ( 14.428 -1.308 -2.008) 14.626 5.546 ( -11.868 14.762 -0.761) 18.957 6.215 ( 15.816 21.128 -1.712) 26.447 7.013 ( 5.515 -10.187 -8.121) 14.147 8.388 ( -3.672 -6.284 0.165) 7.280 8.741 ( -11.103 -2.991 -0.365) 11.504 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 5.727 17.656 0.310) 18.564 1.880 ( 7.214 19.733 4.952) 21.585 3.005 ( 5.852 19.571 -8.134) 21.987 3.710 ( 11.053 1.510 -2.061) 11.345 4.135 ( 4.506 14.266 8.604) 17.258 5.087 ( 1.268 -5.954 5.658) 8.311 5.506 ( -7.115 11.701 -1.171) 13.744 5.620 ( 17.089 2.198 -1.477) 17.293 6.504 ( 2.516 2.126 -1.490) 3.615 7.164 ( 18.624 3.010 0.029) 18.866 8.223 ( -8.723 -4.214 -3.281) 10.228 8.491 ( -12.425 -1.750 -2.914) 12.882 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 7.539 12.624 -4.093) 15.263 2.206 ( 5.608 18.941 2.747) 19.944 3.262 ( 7.913 13.044 -6.144) 16.447 3.825 ( 1.449 3.398 0.353) 3.711 4.436 ( 10.391 9.468 3.702) 14.537 5.083 ( 2.162 -6.213 6.802) 9.463 5.518 ( -5.595 13.784 -0.780) 14.897 5.938 ( 15.576 1.339 0.702) 15.649 6.488 ( 1.683 -4.427 -0.286) 4.744 7.577 ( 18.689 6.912 1.293) 19.969 7.979 ( -13.677 -0.641 -6.180) 15.022 8.292 ( -6.545 -1.775 -2.992) 7.412 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 6.055 7.539 -4.691) 10.748 2.466 ( 1.931 17.689 0.642) 17.805 3.504 ( 8.689 7.712 -2.425) 11.868 3.882 ( -1.176 8.370 1.339) 8.557 4.680 ( 10.401 2.617 0.364) 10.732 5.036 ( -2.417 -8.115 4.397) 9.541 5.583 ( -4.013 15.241 -1.130) 15.801 6.125 ( 4.704 -2.693 4.646) 7.140 6.578 ( 11.094 2.257 -1.365) 11.403 7.709 ( -11.456 -1.264 -9.333) 14.831 7.913 ( 9.614 5.181 2.536) 11.212 8.221 ( 1.287 -0.526 -1.329) 1.923 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 3.011 3.987 -3.111) 5.886 2.637 ( -1.572 15.680 -0.458) 15.766 3.672 ( 4.705 1.366 0.894) 4.981 3.985 ( 0.632 13.688 -3.036) 14.035 4.829 ( -4.763 -2.756 -5.768) 7.972 4.914 ( 7.764 -6.299 9.372) 13.703 5.651 ( -6.020 15.844 -2.476) 17.128 6.138 ( 1.776 -6.309 4.139) 7.752 6.843 ( 11.845 7.457 -0.863) 14.024 7.473 ( -11.019 -0.646 -6.799) 12.964 8.061 ( 4.681 1.051 1.211) 4.948 8.301 ( 6.696 -0.992 -0.214) 6.772 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 0.796 2.144 -1.564) 2.771 2.733 ( -4.053 13.554 -0.024) 14.147 3.706 ( -0.874 -1.242 1.455) 2.104 4.122 ( 0.423 12.499 -10.692) 16.454 4.608 ( -7.132 -6.137 -2.687) 9.785 5.097 ( 8.607 -1.825 11.877) 14.780 5.667 ( -8.403 14.217 -4.175) 17.034 6.106 ( 1.230 -6.439 0.871) 6.613 7.106 ( 6.085 12.162 -0.349) 13.604 7.268 ( -7.228 -3.524 -4.197) 9.071 8.141 ( 3.856 -1.604 2.756) 5.004 8.377 ( 4.413 -3.646 -1.035) 5.817 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 0.306 0.907 -0.735) 1.207 2.768 ( -6.701 11.139 1.379) 13.073 3.640 ( -3.506 -3.370 -1.126) 4.992 4.119 ( -7.485 7.218 -11.742) 15.684 4.527 ( 2.205 -0.337 -0.827) 2.379 5.206 ( 0.990 -3.282 13.046) 13.489 5.619 ( -7.335 7.504 -6.564) 12.378 6.072 ( -1.260 0.681 -1.266) 1.912 7.050 ( -13.215 2.966 -1.703) 13.651 7.361 ( 10.260 4.479 -0.731) 11.219 8.175 ( 1.693 -3.585 3.783) 5.480 8.376 ( 1.681 -6.000 -1.051) 6.319 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -0.740 -0.905 -0.184) 1.183 2.715 ( -11.330 7.003 2.689) 13.588 3.537 ( -2.667 -3.410 -2.457) 4.978 3.993 ( -9.941 5.705 -4.981) 12.498 4.603 ( 5.154 1.841 -3.816) 6.672 5.140 ( -8.128 -5.312 9.637) 13.680 5.531 ( -4.387 1.718 -7.077) 8.502 6.072 ( -3.344 7.654 -1.131) 8.429 6.816 ( -13.529 -1.770 -0.757) 13.666 7.565 ( 6.390 6.302 -2.786) 9.397 8.151 ( -1.196 -4.736 3.924) 6.266 8.332 ( 2.052 -6.831 1.108) 7.218 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -6.158 -3.076 -0.136) 6.885 2.518 ( -17.038 1.726 2.693) 17.336 3.475 ( -1.497 -1.311 -1.219) 2.334 3.869 ( -9.158 5.302 -1.166) 10.646 4.706 ( 5.983 1.833 -5.390) 8.259 4.864 ( -18.359 -7.353 5.602) 20.554 5.492 ( -0.636 3.501 -3.862) 5.251 6.078 ( -4.870 5.573 0.105) 7.402 6.558 ( -10.343 -3.924 -1.333) 11.142 7.628 ( -7.127 6.272 -6.645) 11.588 8.102 ( 2.260 -5.017 4.235) 6.943 8.349 ( 5.824 -5.029 3.489) 8.449 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -15.123 -3.754 -0.539) 15.591 2.191 ( -20.635 -1.186 2.202) 20.786 3.408 ( -5.799 -1.523 -1.895) 6.288 3.776 ( -7.128 4.831 0.442) 8.622 4.406 ( -23.675 -6.975 1.364) 24.719 4.842 ( 6.929 2.736 -0.400) 7.461 5.533 ( -0.978 7.501 -1.146) 7.651 5.925 ( -12.956 -6.276 0.536) 14.406 6.469 ( 3.279 0.447 -1.437) 3.607 7.412 ( -18.772 5.108 -4.878) 20.057 8.169 ( 6.717 -2.074 1.118) 7.118 8.439 ( 7.828 -4.072 2.578) 9.193 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -22.214 -1.289 -0.739) 22.263 1.804 ( -22.415 -1.436 2.151) 22.564 3.144 ( -22.287 -2.330 -4.434) 22.843 3.719 ( -4.762 4.203 0.406) 6.364 3.999 ( -15.744 -2.320 4.066) 16.425 5.003 ( 7.081 3.241 2.293) 8.118 5.550 ( -6.435 -12.531 -2.890) 14.380 5.612 ( -11.434 12.070 2.014) 16.747 6.528 ( -2.869 0.492 -0.696) 2.993 7.172 ( -9.144 6.170 -0.445) 11.040 8.270 ( 6.609 -1.572 -1.210) 6.901 8.535 ( 7.346 -4.709 -1.249) 8.814 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 0.000 19.784 5.234) 20.465 1.714 ( 0.000 19.430 6.475) 20.481 2.978 ( 0.000 31.642 -3.553) 31.841 3.311 ( 0.000 -0.147 -3.946) 3.948 4.127 ( 0.000 12.998 4.782) 13.850 5.077 ( -0.000 -8.018 7.611) 11.055 5.156 ( 0.000 -1.867 -6.073) 6.354 5.878 ( 0.000 14.168 5.011) 15.028 6.273 ( 0.000 28.653 -6.453) 29.370 6.808 ( -0.000 -14.391 -4.761) 15.158 8.354 ( -0.000 -6.221 -0.716) 6.263 8.801 ( -0.000 -4.478 -1.069) 4.604 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -0.352 17.379 0.950) 17.409 1.970 ( 5.716 17.403 3.979) 18.745 3.155 ( -2.699 18.075 -6.820) 19.506 3.492 ( 13.448 4.661 -3.443) 14.643 4.299 ( -0.073 17.226 7.302) 18.710 5.020 ( 0.380 -7.617 8.429) 11.367 5.248 ( 13.694 -2.455 -5.968) 15.139 5.906 ( -11.440 17.080 2.029) 20.657 6.504 ( -0.519 1.088 -1.575) 1.984 6.863 ( 18.107 6.386 -2.461) 19.358 8.265 ( -3.143 -4.697 -2.055) 6.014 8.664 ( -9.127 -3.642 -2.557) 10.154 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 1.993 12.959 -3.021) 13.455 2.284 ( 8.214 16.930 3.313) 19.107 3.293 ( 2.190 13.389 -4.796) 14.389 3.722 ( 10.515 2.000 -3.981) 11.420 4.485 ( 0.183 12.468 4.670) 13.315 5.014 ( 2.046 -3.458 8.576) 9.471 5.489 ( 15.982 -2.427 -1.427) 16.229 5.916 ( -4.632 15.612 -0.856) 16.307 6.442 ( -1.448 -3.590 0.267) 3.880 7.298 ( 19.503 7.877 -2.099) 21.138 8.139 ( -6.646 -1.490 -2.581) 7.284 8.434 ( -11.389 -1.915 -2.922) 11.913 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 3.909 8.814 -3.745) 10.344 2.594 ( 5.552 16.913 2.644) 17.996 3.452 ( 5.036 7.133 -1.984) 8.954 3.905 ( 7.451 5.842 -1.833) 9.644 4.584 ( 2.932 2.146 1.427) 3.904 5.032 ( -1.903 -0.991 4.143) 4.665 5.688 ( 6.214 1.847 5.612) 8.574 6.091 ( 6.807 12.578 -3.526) 14.730 6.413 ( 2.107 -0.830 -1.345) 2.634 7.618 ( 12.098 -1.018 -5.707) 13.415 8.008 ( -7.639 4.804 0.330) 9.030 8.253 ( -6.019 -0.629 -1.320) 6.194 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 3.175 5.676 -2.465) 6.955 2.820 ( 0.388 15.953 1.395) 16.019 3.591 ( 5.783 1.251 0.310) 5.925 4.090 ( 3.704 11.542 -0.936) 12.158 4.690 ( 10.000 -3.916 3.245) 11.219 4.923 ( -8.691 -1.799 -2.789) 9.304 5.820 ( 3.093 5.474 5.812) 8.562 6.194 ( -7.662 8.997 -1.553) 11.919 6.590 ( 18.069 0.428 -3.955) 18.502 7.618 ( -4.862 -1.023 -7.376) 8.894 8.026 ( 1.351 3.709 2.337) 4.587 8.209 ( 1.549 -0.716 0.824) 1.896 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 1.042 3.615 -1.077) 3.913 2.949 ( -3.282 14.341 1.219) 14.763 3.665 ( 2.799 -2.535 0.063) 3.777 4.244 ( 0.036 13.209 -3.584) 13.686 4.681 ( -9.302 -5.757 -3.576) 11.509 4.903 ( 12.686 -1.903 4.923) 13.740 5.950 ( -0.974 11.899 3.197) 12.359 6.079 ( -8.280 0.647 -1.396) 8.421 6.894 ( 16.171 -1.090 -3.629) 16.609 7.491 ( -9.189 6.687 -4.610) 12.264 8.079 ( 2.171 -0.704 2.482) 3.372 8.253 ( 4.333 -3.914 0.603) 5.871 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -0.692 2.169 -0.446) 2.320 3.012 ( -5.891 12.748 2.255) 14.224 3.627 ( -1.547 -5.781 -2.353) 6.431 4.316 ( -6.166 12.137 -7.695) 15.638 4.496 ( -2.300 -3.442 -1.620) 4.445 5.111 ( 9.863 -3.702 8.268) 13.392 5.848 ( -14.023 3.530 -3.537) 14.887 6.127 ( 2.595 9.475 2.594) 10.161 7.045 ( 6.218 -8.517 -3.740) 11.189 7.446 ( -5.741 15.013 -2.113) 16.212 8.109 ( 2.550 -3.336 3.139) 5.242 8.263 ( 2.990 -7.059 -0.259) 7.670 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -1.307 0.794 -0.321) 1.562 2.999 ( -10.223 9.087 3.039) 14.012 3.517 ( -1.684 -5.620 -3.302) 6.732 4.222 ( -10.494 6.856 -4.345) 13.267 4.525 ( 4.460 1.182 -2.072) 5.058 5.191 ( 0.708 -4.692 6.548) 8.086 5.634 ( -9.984 0.100 -3.203) 10.485 6.264 ( -2.556 14.876 0.821) 15.116 6.927 ( -5.708 -10.575 -2.653) 12.307 7.563 ( 2.054 13.138 -2.211) 13.480 8.118 ( 1.090 -4.283 3.247) 5.484 8.222 ( 1.967 -8.176 -0.115) 8.410 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -2.879 -0.404 -0.614) 2.971 2.836 ( -15.561 2.266 1.943) 15.845 3.467 ( 0.296 -1.101 -0.516) 1.251 4.084 ( -10.367 4.034 -1.480) 11.222 4.618 ( 4.916 1.967 -2.548) 5.876 5.075 ( -9.885 -5.041 2.811) 11.447 5.516 ( -2.922 1.243 0.053) 3.176 6.321 ( -8.406 13.583 -0.294) 15.977 6.661 ( -9.819 -10.552 -2.134) 14.571 7.732 ( 3.159 11.209 -4.548) 12.503 8.045 ( -2.680 -8.585 3.417) 9.621 8.216 ( 4.507 -4.087 0.993) 6.165 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -8.095 -0.281 -1.676) 8.272 2.536 ( -18.931 -1.445 0.894) 19.007 3.463 ( -1.780 0.724 0.370) 1.957 3.934 ( -8.810 0.437 -0.243) 8.824 4.681 ( -4.744 0.683 -6.462) 8.046 4.832 ( -7.967 -0.213 7.560) 10.985 5.544 ( 2.084 2.364 2.472) 4.006 6.171 ( -15.379 -1.540 -1.176) 15.501 6.472 ( -3.875 1.649 -1.301) 4.408 7.750 ( -13.314 6.994 -2.167) 15.194 7.998 ( 8.203 -5.994 0.233) 10.162 8.283 ( 6.047 -2.031 -0.446) 6.395 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -15.582 2.253 -3.176) 16.061 2.172 ( -20.375 -1.627 0.452) 20.445 3.380 ( -9.182 1.346 -4.582) 10.350 3.789 ( -5.263 -4.654 2.074) 7.325 4.393 ( -20.829 5.435 0.538) 21.533 4.931 ( 6.472 3.375 7.195) 10.249 5.539 ( -4.764 -7.604 -0.693) 9.000 5.921 ( -10.615 6.951 0.472) 12.697 6.490 ( 2.841 1.967 0.390) 3.478 7.510 ( -17.972 3.435 4.531) 18.850 8.106 ( 8.190 -2.412 -5.171) 9.982 8.366 ( 6.148 -2.044 -4.124) 7.680 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 0.000 14.823 -1.381) 14.887 2.074 ( 0.000 13.258 0.065) 13.259 3.368 ( 0.000 12.627 -11.196) 16.876 3.368 ( -0.000 6.294 3.415) 7.161 4.505 ( 0.000 17.065 5.532) 17.939 4.998 ( -0.000 -3.352 11.807) 12.273 5.068 ( 0.000 -1.602 -8.653) 8.800 6.205 ( 0.000 14.304 4.868) 15.109 6.428 ( -0.000 -15.346 2.789) 15.598 6.820 ( 0.000 22.501 -7.006) 23.567 8.243 ( 0.000 -3.052 -2.331) 3.840 8.689 ( 0.000 -5.001 -3.331) 6.008 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -1.665 10.240 -4.403) 11.270 2.279 ( 8.958 11.748 -0.883) 14.800 3.393 ( -1.162 8.942 -4.472) 10.065 3.565 ( 8.606 5.394 -0.173) 10.158 4.618 ( -1.964 4.424 2.905) 5.645 5.030 ( 0.751 5.732 4.785) 7.504 5.190 ( 12.805 1.916 -0.151) 12.949 6.140 ( -9.015 -1.391 4.186) 10.036 6.446 ( 2.831 4.610 2.438) 5.934 7.110 ( 10.933 13.686 -5.309) 18.304 8.196 ( -2.468 -0.111 -2.271) 3.356 8.562 ( -6.887 -4.174 -3.616) 8.828 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 1.457 7.249 -4.185) 8.496 2.592 ( 12.218 11.807 0.230) 16.992 3.444 ( 1.606 2.947 -3.131) 4.590 3.789 ( 9.667 6.604 0.779) 11.734 4.590 ( -1.663 -2.745 2.295) 3.945 5.125 ( -1.464 8.305 1.245) 8.524 5.486 ( 15.909 2.579 3.433) 16.478 6.047 ( 1.282 -2.980 2.187) 3.913 6.534 ( -3.869 12.784 -0.635) 13.372 7.379 ( 11.780 1.812 -4.330) 12.680 8.147 ( -4.116 3.539 -1.370) 5.598 8.377 ( -8.443 -1.813 -2.319) 8.941 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 3.180 5.320 -2.342) 6.626 2.905 ( 8.159 12.303 0.576) 14.774 3.501 ( 4.618 -1.137 0.438) 4.776 4.040 ( 11.038 6.988 0.187) 13.065 4.552 ( 1.385 -4.744 1.884) 5.289 5.107 ( -9.417 6.818 -2.011) 11.798 5.755 ( 9.188 1.236 7.929) 12.199 6.181 ( 16.729 -1.731 -3.492) 17.177 6.547 ( -9.724 13.838 -2.661) 17.121 7.524 ( 7.995 -3.649 -4.544) 9.893 8.116 ( -4.213 4.868 -0.018) 6.438 8.245 ( -4.866 0.012 0.159) 4.869 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 2.297 3.660 -0.806) 4.396 3.111 ( 1.447 11.858 0.226) 11.948 3.572 ( 4.621 -3.278 1.845) 5.959 4.297 ( 7.244 8.227 -0.406) 10.969 4.579 ( 9.024 -7.506 3.427) 12.228 4.941 ( -13.444 5.192 -5.617) 15.468 5.924 ( 6.770 2.032 6.923) 9.894 6.380 ( -8.298 6.118 -2.120) 10.526 6.560 ( 13.716 1.979 -4.694) 14.631 7.588 ( 2.804 1.974 -4.336) 5.528 8.091 ( -2.664 1.644 1.074) 3.310 8.193 ( -1.212 -1.771 1.565) 2.656 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 0.207 2.190 -0.141) 2.204 3.219 ( -2.275 11.235 1.478) 11.558 3.574 ( 0.163 -6.212 -0.327) 6.222 4.410 ( 1.429 3.032 -1.495) 3.670 4.633 ( -9.482 5.140 -3.191) 11.248 4.872 ( 11.509 -3.912 2.435) 12.397 6.072 ( -0.689 3.357 0.226) 3.435 6.207 ( -8.103 5.156 2.993) 10.060 6.808 ( 12.099 -2.358 -4.708) 13.195 7.650 ( -1.342 10.214 -3.035) 10.739 8.066 ( -0.400 -1.832 1.646) 2.495 8.153 ( 0.544 -6.327 1.417) 6.507 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -1.494 0.889 -0.041) 1.739 3.258 ( -7.316 8.392 2.881) 11.500 3.472 ( -1.369 -6.381 -2.266) 6.909 4.445 ( -2.145 -0.486 -0.795) 2.338 4.488 ( -6.713 7.364 -2.612) 10.301 5.060 ( 10.194 -4.410 2.135) 11.310 5.865 ( -15.424 1.389 -0.393) 15.491 6.357 ( 7.406 6.332 2.551) 10.072 6.862 ( -0.142 -4.228 -4.335) 6.057 7.715 ( -3.397 11.507 -1.853) 12.140 8.061 ( 1.715 -2.650 1.982) 3.728 8.100 ( 2.113 -8.033 0.603) 8.328 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -2.097 0.062 -0.205) 2.108 3.099 ( -12.967 -2.451 0.217) 13.198 3.461 ( 0.761 2.726 1.657) 3.279 4.299 ( -10.876 1.676 0.055) 11.004 4.552 ( 4.288 2.027 -0.020) 4.743 5.112 ( 0.286 -3.891 -2.613) 4.695 5.656 ( -9.881 2.248 3.635) 10.766 6.480 ( 1.065 -3.698 -1.355) 4.079 6.745 ( -8.367 3.891 -2.253) 9.498 7.747 ( 0.560 2.091 -1.890) 2.874 8.036 ( -1.246 -2.713 0.822) 3.097 8.124 ( 3.689 0.003 0.973) 3.815 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -3.402 0.399 -1.196) 3.628 2.808 ( -15.169 -4.978 -0.692) 15.980 3.509 ( -0.754 3.603 3.339) 4.970 4.105 ( -11.336 -1.854 0.386) 11.493 4.657 ( 4.640 2.413 1.133) 5.352 4.997 ( -7.246 -1.669 -3.876) 8.386 5.598 ( -3.182 3.584 7.065) 8.537 6.286 ( -7.669 -13.717 -3.260) 16.050 6.678 ( -10.267 11.468 -0.802) 15.413 7.781 ( 7.052 -8.870 -0.807) 11.360 7.985 ( -5.922 5.957 -1.369) 8.510 8.201 ( 3.019 2.661 -0.386) 4.043 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -7.507 2.524 -3.411) 8.623 2.473 ( -16.927 -4.095 -1.415) 17.473 3.511 ( -4.207 3.128 1.554) 5.467 3.871 ( -10.321 -5.604 -0.297) 11.748 4.707 ( -6.735 5.141 -2.788) 8.920 4.908 ( 0.982 1.811 7.122) 7.414 5.572 ( -5.540 -3.891 2.869) 7.353 6.069 ( -3.256 -1.500 0.426) 3.610 6.584 ( -9.136 5.092 0.808) 10.491 7.745 ( -2.835 -8.109 4.427) 9.664 7.980 ( 0.060 6.598 -7.384) 9.903 8.273 ( 2.673 2.551 -3.594) 5.155 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 0.000 6.959 -6.770) 9.708 2.255 ( 0.000 6.634 -3.993) 7.743 3.432 ( 0.000 1.615 -7.496) 7.668 3.594 ( -0.000 10.794 8.479) 13.726 4.644 ( -0.000 -3.393 2.343) 4.123 4.981 ( 0.000 -1.134 -8.775) 8.848 5.264 ( -0.000 18.012 10.502) 20.851 6.159 ( -0.000 -13.211 7.216) 15.053 6.505 ( 0.000 12.147 3.354) 12.602 7.154 ( 0.000 13.945 -7.107) 15.652 8.221 ( 0.000 2.580 -2.119) 3.339 8.559 ( 0.000 -5.159 -4.000) 6.528 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -0.773 4.234 -5.627) 7.084 2.434 ( 13.095 5.533 -3.845) 14.727 3.416 ( 0.742 -1.678 -3.841) 4.256 3.767 ( 3.833 9.686 6.845) 12.465 4.590 ( -1.833 -4.239 1.905) 4.996 5.057 ( 11.290 0.745 -6.913) 13.260 5.469 ( -0.280 15.366 6.676) 16.756 6.026 ( -3.173 -8.850 7.249) 11.872 6.672 ( 3.167 11.532 1.636) 12.070 7.267 ( 2.868 5.718 -5.818) 8.647 8.236 ( -1.937 4.876 -1.734) 5.526 8.455 ( -4.404 -3.884 -3.114) 6.646 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 2.710 3.486 -2.696) 5.174 2.760 ( 17.514 5.845 -2.330) 18.610 3.411 ( 2.877 -3.452 0.146) 4.496 3.950 ( 5.952 6.283 3.106) 9.195 4.524 ( -1.597 -3.414 1.099) 3.926 5.265 ( 5.379 6.650 -3.417) 9.210 5.625 ( 5.949 6.544 4.097) 9.747 5.955 ( 2.709 -6.482 3.539) 7.866 6.818 ( -3.010 13.911 -0.694) 14.250 7.331 ( 5.889 -3.247 -3.640) 7.646 8.234 ( -3.675 4.936 -1.315) 6.293 8.334 ( -5.058 -1.245 -1.008) 5.306 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 3.534 2.544 -0.763) 4.421 3.093 ( 12.253 7.003 -2.629) 14.356 3.455 ( 5.210 -4.065 4.038) 7.744 4.150 ( 11.635 3.039 1.138) 12.079 4.473 ( -0.765 -3.173 0.590) 3.317 5.244 ( -12.938 7.529 -3.443) 15.360 5.848 ( 7.372 2.362 7.693) 10.914 6.075 ( 19.718 -5.001 -3.979) 20.728 6.795 ( -13.097 10.367 -1.227) 16.748 7.436 ( 10.912 -2.471 -2.098) 11.383 8.190 ( -5.182 2.744 -0.956) 5.941 8.249 ( -4.359 -0.123 0.814) 4.436 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 2.162 1.265 -0.063) 2.506 3.301 ( 4.680 7.580 -2.088) 9.149 3.495 ( 2.255 -5.922 3.024) 7.021 4.399 ( 4.493 2.642 -0.677) 5.257 4.481 ( 13.471 -3.750 2.360) 14.181 5.020 ( -16.784 4.711 -3.079) 17.703 5.999 ( 8.030 0.444 3.240) 8.671 6.350 ( 7.045 -2.279 -2.454) 7.800 6.657 ( -4.120 5.113 0.358) 6.576 7.624 ( 10.104 2.844 -1.442) 10.596 8.111 ( -5.055 0.401 -0.512) 5.097 8.162 ( -4.982 -2.095 1.150) 5.526 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -0.006 -0.013 0.008) 0.016 3.411 ( -4.106 -5.234 -0.014) 6.652 3.427 ( 2.051 4.393 0.013) 4.848 4.421 ( 1.009 0.756 0.036) 1.261 4.767 ( -14.856 2.137 0.215) 15.010 4.779 ( 16.789 -1.385 -0.218) 16.848 6.157 ( -2.523 4.117 -1.537) 5.067 6.193 ( -2.312 -6.561 1.494) 7.115 6.803 ( 7.592 3.112 0.023) 8.206 7.800 ( 4.617 2.853 0.008) 5.428 8.038 ( -2.497 -0.205 -0.497) 2.554 8.051 ( -3.203 -2.756 0.476) 4.252 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -1.452 -0.789 0.010) 1.653 3.213 ( -7.698 -9.609 -1.443) 12.397 3.520 ( 0.133 7.256 2.366) 7.633 4.455 ( -1.132 1.639 0.033) 1.992 4.559 ( -7.747 -1.703 4.169) 8.961 4.987 ( 8.654 -1.087 -4.919) 10.013 5.909 ( -14.575 1.572 3.858) 15.159 6.289 ( 8.060 -10.289 -3.962) 13.658 6.913 ( -0.651 8.241 0.537) 8.284 7.743 ( -4.406 -9.548 0.381) 10.522 8.027 ( 0.898 1.004 -0.997) 1.676 8.100 ( 3.653 6.929 0.589) 7.855 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -1.658 -0.527 -0.323) 1.770 2.953 ( -10.188 -9.343 -1.442) 13.898 3.588 ( -1.144 5.374 3.689) 6.617 4.296 ( -12.256 -2.030 1.862) 12.562 4.590 ( 5.519 -0.354 4.630) 7.213 5.025 ( -0.147 -0.349 -8.803) 8.811 5.755 ( -7.805 2.471 7.703) 11.241 6.200 ( -0.837 -13.734 -4.883) 14.600 6.958 ( -7.240 10.990 0.098) 13.161 7.586 ( 1.937 -12.907 -0.439) 13.059 8.061 ( 0.486 3.060 -1.852) 3.610 8.230 ( 1.470 8.082 0.689) 8.243 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -2.350 1.015 -1.957) 3.223 2.664 ( -12.109 -7.361 -2.124) 14.329 3.606 ( -2.485 2.077 4.186) 5.293 4.043 ( -13.880 -2.525 -0.831) 14.132 4.723 ( 6.723 0.557 8.271) 10.673 4.962 ( -3.247 1.794 -7.616) 8.471 5.657 ( -7.176 -5.343 3.524) 9.615 6.076 ( -0.048 -0.891 0.852) 1.234 6.840 ( -13.354 2.831 1.088) 13.694 7.572 ( 7.753 -8.299 -2.377) 11.603 8.078 ( -2.105 4.186 -2.730) 5.423 8.311 ( -1.100 7.230 -0.819) 7.359 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 0.000 1.278 -6.378) 6.505 2.323 ( 0.000 3.232 -3.438) 4.719 3.370 ( -0.000 -3.899 -1.415) 4.148 3.861 ( -0.000 8.983 7.004) 11.391 4.582 ( -0.000 -2.311 1.025) 2.529 4.912 ( 0.000 -0.526 -5.872) 5.895 5.655 ( 0.000 13.934 3.370) 14.336 5.999 ( -0.000 -8.203 8.929) 12.125 6.729 ( 0.000 8.058 1.449) 8.187 7.302 ( 0.000 5.922 -5.337) 7.972 8.302 ( 0.000 5.661 -1.750) 5.926 8.439 ( 0.000 -4.147 -2.657) 4.925 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 1.522 1.385 -2.752) 3.436 2.482 ( 14.742 2.255 -2.670) 15.150 3.338 ( 1.288 -3.985 1.296) 4.384 3.966 ( 1.322 5.395 3.234) 6.428 4.539 ( -2.543 -1.404 0.407) 2.933 5.046 ( 15.212 1.627 -2.492) 15.500 5.745 ( -3.629 8.542 0.387) 9.289 5.925 ( -2.709 -6.026 7.163) 9.745 6.872 ( 6.953 6.873 0.581) 9.794 7.301 ( -3.510 1.889 -3.662) 5.412 8.331 ( -2.212 4.615 -1.661) 5.381 8.376 ( -2.217 -2.242 -0.989) 3.305 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 3.638 1.346 -0.379) 3.898 2.822 ( 20.460 2.368 -2.325) 20.728 3.355 ( 3.452 -2.731 4.420) 6.238 4.046 ( 3.899 1.586 0.117) 4.211 4.484 ( -2.294 -0.897 0.324) 2.484 5.363 ( 11.989 4.040 -1.267) 12.714 5.741 ( 1.399 2.737 -0.429) 3.103 5.858 ( 0.041 -4.758 3.900) 6.152 7.067 ( -0.886 10.691 0.482) 10.738 7.217 ( 2.803 -5.991 -1.913) 6.886 8.299 ( -4.296 1.826 -1.519) 4.909 8.319 ( -3.397 0.156 0.478) 3.434 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 3.510 0.317 0.226) 3.532 3.163 ( 15.456 1.952 -3.842) 16.045 3.411 ( 3.035 -2.818 5.213) 6.658 4.179 ( 11.727 -0.543 0.421) 11.747 4.445 ( -1.808 0.218 0.342) 1.853 5.325 ( -13.341 1.537 -2.088) 13.591 5.856 ( 6.101 -5.889 -1.564) 8.622 6.039 ( 21.177 4.184 3.360) 21.847 6.915 ( -15.183 0.808 1.336) 15.264 7.411 ( 14.520 1.112 -0.024) 14.563 8.216 ( -5.881 0.703 -1.497) 6.109 8.244 ( -5.082 -0.866 0.647) 5.196 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 1.937 -0.981 0.138) 2.176 3.327 ( 3.863 -7.724 -0.077) 8.636 3.442 ( 3.048 3.870 -1.469) 5.140 4.415 ( 6.930 -3.398 0.876) 7.768 4.457 ( 9.698 2.817 -0.217) 10.101 5.065 ( -15.174 -0.051 1.384) 15.237 5.925 ( 9.378 -6.293 -3.654) 11.870 6.383 ( 3.440 4.911 0.783) 6.047 6.703 ( -1.674 -2.330 4.553) 5.381 7.659 ( 11.084 0.314 1.844) 11.241 8.111 ( -5.456 -0.712 -0.681) 5.544 8.131 ( -5.940 0.227 -1.550) 6.143 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 0.106 -1.798 0.070) 1.803 3.201 ( -4.020 -11.648 -0.237) 12.325 3.561 ( 3.530 5.568 -1.491) 6.759 4.442 ( 2.117 -1.121 1.333) 2.742 4.637 ( 2.734 -4.418 -2.814) 5.909 4.887 ( -2.907 2.839 3.953) 5.669 6.007 ( 8.817 -7.732 -5.206) 12.831 6.213 ( -15.490 -1.200 2.979) 15.819 6.887 ( 11.054 3.529 2.887) 11.958 7.716 ( -2.853 -9.029 2.886) 9.899 8.032 ( -1.032 0.700 -1.347) 1.836 8.122 ( 2.053 6.916 -1.488) 7.366 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -0.776 -1.549 0.111) 1.736 2.985 ( -6.486 -11.755 -0.453) 13.434 3.649 ( 0.995 3.759 0.228) 3.895 4.468 ( 0.165 -9.572 5.184) 10.887 4.507 ( -5.436 3.720 -1.186) 6.693 4.967 ( 3.837 1.671 -3.540) 5.482 5.952 ( -11.627 -5.157 5.540) 13.874 6.033 ( 4.507 -5.751 -5.420) 9.097 7.096 ( 5.030 8.173 0.927) 9.641 7.482 ( -7.759 -14.596 0.811) 16.550 8.063 ( 1.859 2.961 -0.919) 3.615 8.266 ( 4.122 7.593 0.050) 8.639 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -0.642 -0.292 -0.521) 0.877 2.744 ( -7.906 -9.775 -0.972) 12.610 3.662 ( -1.687 -0.627 1.797) 2.544 4.275 ( -12.463 0.218 -0.779) 12.489 4.584 ( 8.554 -3.556 5.300) 10.672 4.992 ( -0.706 1.778 -4.917) 5.276 5.715 ( -7.703 -10.902 1.255) 13.408 6.075 ( 2.789 4.918 0.656) 5.692 7.092 ( -14.087 -2.345 1.795) 14.393 7.343 ( 8.907 -5.495 -2.626) 10.790 8.121 ( 0.644 3.678 -1.035) 3.875 8.387 ( 1.216 6.442 0.048) 6.556 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 0.000 0.898 -0.976) 1.326 2.358 ( 0.000 1.795 -0.736) 1.940 3.300 ( -0.000 -2.499 3.253) 4.102 4.000 ( 0.000 1.685 -0.427) 1.738 4.569 ( 0.000 0.165 0.070) 0.180 4.900 ( -0.000 1.277 1.257) 1.792 5.840 ( 0.000 3.594 -0.659) 3.654 5.926 ( -0.000 -4.355 4.641) 6.364 6.841 ( 0.000 2.556 -0.467) 2.599 7.364 ( 0.000 3.069 -1.751) 3.533 8.370 ( -0.000 -0.976 -0.402) 1.055 8.388 ( 0.000 2.685 -1.066) 2.889 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 1.962 1.470 1.195) 2.728 2.510 ( 14.598 1.422 0.305) 14.670 3.314 ( 1.459 -0.030 5.493) 5.684 3.998 ( 1.407 -2.177 -3.705) 4.522 4.533 ( -3.158 0.266 0.551) 3.217 5.087 ( 15.972 1.736 3.545) 16.452 5.821 ( -4.312 0.348 -4.142) 5.989 5.858 ( -2.422 -4.296 3.621) 6.118 6.938 ( 9.485 -0.577 -1.086) 9.565 7.329 ( -6.604 2.286 0.542) 7.009 8.354 ( -1.706 0.573 0.498) 1.867 8.380 ( -2.364 0.470 -0.774) 2.532 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 2.840 0.258 1.388) 3.172 2.835 ( 19.415 -0.155 -1.063) 19.445 3.377 ( 2.025 1.141 6.335) 6.748 4.011 ( 5.851 -3.590 -2.860) 7.436 4.492 ( -2.367 1.031 0.813) 2.707 5.383 ( 9.674 -2.036 1.142) 9.952 5.687 ( -1.017 -5.107 -5.618) 7.660 5.868 ( 5.328 2.133 4.567) 7.334 7.055 ( 2.098 -9.328 -0.778) 9.593 7.265 ( 0.265 7.948 2.773) 8.422 8.303 ( -4.395 -0.839 -1.512) 4.723 8.322 ( -4.090 -0.011 1.141) 4.247 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 2.631 -1.439 0.965) 3.150 3.098 ( 12.865 -6.570 -2.232) 14.617 3.430 ( 1.220 2.145 1.531) 2.904 4.142 ( 12.774 -3.345 0.605) 13.219 4.481 ( -0.962 2.728 1.050) 3.078 5.270 ( -10.552 -5.799 -0.217) 12.043 5.707 ( 7.298 -4.918 -6.113) 10.715 6.174 ( 19.613 4.724 5.361) 20.874 6.838 ( -11.629 -9.361 2.763) 15.182 7.484 ( 11.155 4.972 2.623) 12.491 8.192 ( -5.455 -2.592 -1.025) 6.126 8.230 ( -6.026 -0.109 -0.757) 6.074 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 1.633 -2.512 0.652) 3.066 3.105 ( 1.319 -13.137 -0.346) 13.208 3.516 ( 4.919 4.048 -3.330) 7.188 4.300 ( 8.709 -7.852 -0.032) 11.726 4.550 ( 4.062 5.678 -0.081) 6.982 5.037 ( -9.253 -4.270 4.233) 11.035 5.774 ( 7.874 -3.952 -7.279) 11.429 6.434 ( -8.058 -4.438 2.853) 9.631 6.665 ( 12.714 -2.466 5.141) 13.934 7.681 ( 3.350 0.470 4.372) 5.528 8.063 ( -3.831 -2.652 -1.572) 4.917 8.156 ( -1.557 2.454 -1.927) 3.488 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 0.611 -2.183 0.671) 2.364 2.943 ( -3.143 -13.769 0.560) 14.134 3.624 ( 4.283 2.167 -3.357) 5.857 4.300 ( 4.363 -11.895 0.979) 12.708 4.642 ( -1.952 5.738 -5.443) 8.146 4.942 ( -0.167 -0.883 7.278) 7.333 5.833 ( 5.583 -5.348 -7.619) 10.855 6.149 ( -11.719 -6.739 4.978) 14.405 6.951 ( 14.257 -0.398 1.575) 14.349 7.571 ( -11.341 -5.244 2.533) 12.749 8.051 ( 2.082 1.290 0.139) 2.453 8.238 ( 5.811 4.890 -0.817) 7.638 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -0.000 3.181 3.749) 4.916 2.388 ( -0.000 0.589 2.155) 2.234 3.337 ( -0.000 2.643 7.081) 7.558 3.921 ( 0.000 -6.148 -7.363) 9.592 4.573 ( -0.000 -0.038 0.244) 0.247 4.974 ( -0.000 2.464 7.794) 8.174 5.813 ( 0.000 -7.109 -7.242) 10.148 5.861 ( -0.000 -0.578 2.560) 2.625 6.823 ( 0.000 -3.483 -2.259) 4.151 7.410 ( -0.000 1.127 2.665) 2.894 8.383 ( 0.000 0.206 -0.553) 0.590 8.397 ( -0.000 0.404 1.161) 1.229 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -0.530 1.201 3.664) 3.892 2.536 ( 13.585 -0.296 2.290) 13.780 3.404 ( 0.541 3.739 7.770) 8.640 3.853 ( 3.951 -7.542 -6.918) 10.971 4.547 ( -2.354 0.717 0.851) 2.604 5.151 ( 12.487 0.812 7.290) 14.482 5.654 ( -3.657 -11.058 -8.768) 14.579 5.862 ( -0.394 1.959 1.734) 2.646 6.840 ( 7.564 -7.434 -2.539) 10.905 7.391 ( -3.617 1.334 4.856) 6.200 8.335 ( -2.270 -3.532 -1.249) 4.380 8.404 ( -2.946 3.002 1.618) 4.507 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 0.920 -1.765 2.771) 3.412 2.776 ( 14.701 -5.869 -0.756) 15.847 3.456 ( -0.580 2.209 3.579) 4.245 3.899 ( 10.392 -5.196 -0.906) 11.654 4.531 ( -1.374 2.266 1.416) 3.004 5.306 ( -1.273 -7.432 0.825) 7.585 5.506 ( 7.003 -6.441 -6.734) 11.657 5.964 ( 9.332 4.016 3.765) 10.835 6.822 ( 0.527 -13.205 -0.355) 13.220 7.424 ( 3.810 4.683 5.340) 8.060 8.235 ( -3.933 -4.234 -1.185) 5.899 8.348 ( -6.627 1.790 0.266) 6.870 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 1.926 -3.728 2.077) 4.682 2.878 ( 8.177 -13.344 -1.944) 15.771 3.481 ( 1.576 1.875 -1.349) 2.797 4.053 ( 10.909 -5.921 1.349) 12.485 4.564 ( 1.095 3.972 2.356) 4.746 5.108 ( -5.764 -9.515 -1.010) 11.171 5.598 ( 7.008 -1.021 -6.944) 9.918 6.270 ( 17.631 0.503 4.325) 18.160 6.606 ( -7.157 -13.875 3.034) 15.904 7.627 ( 8.941 5.744 5.414) 11.927 8.099 ( -5.836 -5.410 -1.769) 8.152 8.235 ( -6.285 1.224 -0.786) 6.451 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 2.407 -3.587 1.936) 4.734 2.805 ( 2.064 -15.979 -0.057) 16.112 3.544 ( 4.527 0.891 -3.581) 5.840 4.105 ( 4.446 -11.111 0.295) 11.971 4.664 ( 3.564 5.105 -0.407) 6.239 4.965 ( -2.096 -4.642 2.456) 5.654 5.675 ( 5.436 -1.234 -7.937) 9.699 6.250 ( -8.654 -12.947 3.617) 15.988 6.661 ( 16.250 -2.316 2.481) 16.601 7.752 ( -8.177 2.993 4.784) 9.935 7.985 ( 4.765 -3.928 -1.101) 6.273 8.199 ( 0.911 2.664 -0.102) 2.818 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -0.000 0.605 4.986) 5.023 2.397 ( -0.000 -2.162 3.566) 4.170 3.475 ( -0.000 4.592 8.844) 9.965 3.694 ( 0.000 -9.826 -8.490) 12.985 4.581 ( -0.000 1.156 0.640) 1.322 5.080 ( -0.000 1.697 9.810) 9.956 5.509 ( 0.000 -16.740 -10.506) 19.764 5.912 ( 0.000 5.153 0.714) 5.203 6.674 ( -0.000 -8.987 -3.813) 9.763 7.428 ( -0.000 -3.262 6.625) 7.384 8.308 ( -0.000 -4.509 -1.121) 4.646 8.481 ( 0.000 4.881 1.243) 5.037 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -2.456 -3.638 4.138) 6.033 2.490 ( 10.368 -6.587 1.321) 12.354 3.505 ( -1.998 -0.447 2.306) 3.084 3.670 ( 8.561 -4.875 0.012) 9.851 4.587 ( -1.508 2.804 1.519) 3.527 5.207 ( 5.480 -3.604 6.158) 8.996 5.286 ( 3.018 -14.847 -9.166) 17.708 5.961 ( -1.090 7.010 0.765) 7.135 6.621 ( 5.557 -11.619 -3.140) 13.257 7.408 ( 1.548 -5.040 7.579) 9.232 8.243 ( -2.147 -3.583 -1.023) 4.300 8.490 ( -5.095 4.501 0.075) 6.799 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 0.421 -6.923 3.242) 7.656 2.568 ( 9.891 -13.666 -2.026) 16.991 3.469 ( 0.024 -2.370 -0.165) 2.376 3.821 ( 10.582 -3.237 3.088) 11.489 4.602 ( -0.741 1.905 3.458) 4.017 5.020 ( -0.428 -15.651 -7.963) 17.566 5.449 ( 9.605 1.895 0.112) 9.791 6.055 ( 6.732 1.514 1.893) 7.155 6.542 ( -0.596 -12.537 0.316) 12.555 7.492 ( 10.537 -3.143 6.496) 12.771 8.153 ( -4.919 -1.945 -0.951) 5.374 8.395 ( -9.197 2.924 -0.733) 9.679 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 3.782 -7.690 3.010) 9.083 2.549 ( 7.023 -17.423 -1.675) 18.860 3.467 ( 2.827 -2.681 -0.237) 3.904 3.930 ( 5.261 -6.689 0.641) 8.534 4.623 ( 3.763 -4.158 4.830) 7.402 4.908 ( 1.803 -3.941 -7.373) 8.552 5.580 ( 3.453 2.254 -4.444) 6.062 6.154 ( 5.535 -14.138 2.302) 15.357 6.454 ( 3.899 -1.371 2.138) 4.653 7.719 ( 15.059 -3.551 3.930) 15.963 8.001 ( -10.907 -0.145 -0.316) 10.913 8.276 ( -5.956 2.919 0.850) 6.687 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -0.000 -9.128 2.960) 9.596 2.312 ( -0.000 -8.848 1.199) 8.929 3.464 ( 0.000 -7.451 -3.721) 8.329 3.594 ( -0.000 0.427 7.233) 7.246 4.642 ( -0.000 2.938 2.466) 3.836 5.021 ( 0.000 -21.939 -12.261) 25.133 5.167 ( -0.000 0.639 8.960) 8.982 6.098 ( 0.000 12.777 1.145) 12.829 6.419 ( -0.000 -12.914 -4.789) 13.773 7.318 ( -0.000 -13.693 8.641) 16.192 8.236 ( 0.000 -1.004 -0.702) 1.226 8.590 ( 0.000 5.548 -1.165) 5.669 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -1.181 -12.914 2.120) 13.140 2.265 ( 6.604 -15.020 -2.143) 16.547 3.413 ( 1.241 -5.361 0.794) 5.560 3.653 ( 6.666 -3.204 4.026) 8.421 4.607 ( -1.453 -12.883 1.751) 13.082 4.830 ( 1.493 -4.996 -9.452) 10.795 5.296 ( 9.805 1.116 6.185) 11.646 6.091 ( -7.539 -0.083 -1.157) 7.628 6.408 ( 5.829 -2.156 -0.761) 6.261 7.250 ( 8.114 -15.604 8.064) 19.348 8.216 ( -2.496 1.612 -0.323) 2.988 8.578 ( -6.749 4.740 -2.260) 8.551 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 3.546 -14.734 2.062) 15.295 2.217 ( 8.410 -18.472 -3.026) 20.521 3.379 ( 1.953 -7.630 3.624) 8.670 3.777 ( 8.069 -3.035 0.697) 8.649 4.421 ( 3.811 -21.177 -1.833) 21.595 4.863 ( 1.452 6.389 -4.595) 8.003 5.519 ( 8.861 3.468 1.489) 9.631 5.928 ( -0.057 -14.799 -0.041) 14.799 6.455 ( -0.951 3.572 1.313) 3.922 7.365 ( 16.648 -11.893 4.368) 20.921 8.172 ( -5.844 3.540 0.458) 6.848 8.457 ( -9.820 3.688 -0.790) 10.519 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -0.000 -19.026 -0.176) 19.027 2.033 ( -0.000 -17.581 -3.589) 17.943 3.377 ( -0.000 -1.216 3.923) 4.107 3.510 ( -0.000 -14.328 1.142) 14.374 4.399 ( -0.000 -22.336 -4.496) 22.784 4.847 ( 0.000 7.779 -1.305) 7.888 5.222 ( -0.000 -0.259 5.758) 5.764 6.106 ( -0.000 -14.345 -4.284) 14.972 6.426 ( 0.000 16.636 2.208) 16.782 6.995 ( -0.000 -22.373 9.914) 24.471 8.265 ( 0.000 3.617 -0.233) 3.625 8.682 ( 0.000 5.150 -4.279) 6.695 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 1.776 -21.615 -0.782) 21.702 1.879 ( 5.981 -20.182 -4.383) 21.501 3.263 ( -0.563 -17.741 2.780) 17.966 3.546 ( 12.460 -4.807 1.932) 13.494 4.171 ( -1.113 -17.737 -4.786) 18.405 4.927 ( -0.163 8.336 0.310) 8.344 5.342 ( 11.468 0.158 2.272) 11.692 5.866 ( -7.836 -15.098 -1.261) 17.057 6.536 ( -1.317 2.113 1.528) 2.921 6.982 ( 13.471 -9.072 8.687) 18.419 8.285 ( -2.482 4.604 -0.150) 5.232 8.647 ( -7.207 4.276 -4.326) 9.431 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -0.000 -24.665 -2.791) 24.822 1.584 ( -0.000 -22.817 -5.582) 23.490 2.961 ( -0.000 -36.941 -4.209) 37.180 3.443 ( -0.000 2.904 8.326) 8.818 4.037 ( -0.000 -10.897 -4.387) 11.747 5.017 ( 0.000 7.406 2.255) 7.742 5.219 ( -0.000 -2.288 -0.766) 2.413 5.812 ( -0.000 -12.024 -0.541) 12.036 6.394 ( -0.000 -25.280 4.896) 25.750 6.962 ( -0.000 15.877 10.079) 18.806 8.354 ( 0.000 4.975 -0.756) 5.032 8.739 ( 0.000 4.301 -7.335) 8.503 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -0.000 0.000 24.729) 24.729 0.517 ( -0.000 0.000 24.729) 24.729 0.862 ( -0.000 0.000 41.249) 41.249 3.641 ( 0.000 -0.000 -6.135) 6.135 3.641 ( 0.000 -0.000 -6.135) 6.135 4.981 ( -0.000 0.000 4.473) 4.473 4.981 ( -0.000 -0.000 4.473) 4.473 5.533 ( 0.000 -0.000 -1.293) 1.293 5.533 ( 0.000 -0.000 -1.293) 1.293 6.425 ( 0.000 -0.000 -10.917) 10.917 8.608 ( -0.000 0.000 6.002) 6.002 9.262 ( 0.000 -0.000 -1.229) 1.229 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 5.879 3.394 22.983) 23.965 0.753 ( 12.973 7.490 16.697) 22.432 1.404 ( 29.705 17.150 21.396) 40.426 3.572 ( 1.363 0.787 -6.935) 7.111 3.709 ( 2.715 1.567 -2.974) 4.321 4.906 ( -2.021 -1.167 -0.082) 2.335 5.217 ( 8.695 5.020 7.011) 12.246 5.560 ( 10.581 6.109 -1.356) 12.293 5.626 ( 4.960 2.864 1.510) 5.923 6.956 ( 23.446 13.537 -34.572) 43.911 8.589 ( -3.592 -2.074 5.511) 6.897 8.973 ( -17.583 -10.152 6.705) 21.382 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 12.963 7.484 10.764) 18.436 1.147 ( 16.097 9.294 8.806) 20.568 2.158 ( 28.717 16.580 4.142) 33.417 3.694 ( 10.493 6.058 -0.394) 12.122 3.744 ( 0.562 0.324 0.655) 0.922 4.892 ( 1.554 0.897 -5.000) 5.313 5.316 ( 0.154 0.089 4.995) 4.998 5.772 ( 6.671 3.851 3.620) 8.511 6.002 ( 22.561 13.025 2.489) 26.169 7.192 ( 7.849 4.532 -19.469) 21.476 8.449 ( -10.841 -6.259 2.047) 12.685 8.621 ( -11.916 -6.880 1.059) 13.800 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 16.648 9.611 0.047) 19.223 1.541 ( 15.437 8.913 3.446) 18.155 2.729 ( 20.538 11.857 -6.502) 24.590 3.743 ( -1.068 -0.617 3.719) 3.919 4.047 ( 17.560 10.138 7.103) 21.485 4.941 ( 4.447 2.568 -8.659) 10.068 5.316 ( -1.614 -0.932 7.273) 7.508 5.961 ( 8.186 4.726 4.776) 10.591 6.457 ( 13.225 7.635 -1.568) 15.351 7.323 ( 8.113 4.684 1.887) 9.556 8.125 ( -13.097 -7.562 -9.818) 18.031 8.419 ( -6.891 -3.979 -1.401) 8.080 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 15.118 8.729 -5.665) 18.353 1.881 ( 13.020 7.517 -0.453) 15.041 3.118 ( 15.701 9.065 -7.544) 19.637 3.725 ( -1.713 -0.989 5.850) 6.175 4.484 ( 16.079 9.283 6.662) 19.725 5.033 ( 5.964 3.443 -10.298) 12.388 5.291 ( -3.214 -1.855 9.651) 10.340 6.181 ( 9.011 5.202 5.064) 11.571 6.575 ( -1.157 -0.668 0.829) 1.572 7.579 ( 7.449 4.301 12.787) 15.411 7.857 ( -2.677 -1.546 -20.169) 20.405 8.277 ( -4.022 -2.322 -3.107) 5.588 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 10.289 5.940 -6.933) 13.756 2.143 ( 9.810 5.664 -2.942) 11.703 3.443 ( 14.321 8.268 -6.357) 17.716 3.706 ( -1.849 -1.068 7.234) 7.543 4.797 ( 8.946 5.165 2.220) 10.565 5.143 ( 6.187 3.572 -10.313) 12.546 5.212 ( -6.523 -3.766 10.401) 12.842 6.404 ( 8.329 4.809 4.789) 10.744 6.510 ( -3.753 -2.167 5.515) 7.014 7.560 ( -4.467 -2.579 -8.504) 9.946 7.958 ( 7.476 4.316 -2.035) 8.869 8.256 ( 3.801 2.195 -2.423) 5.014 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 5.101 2.945 -5.173) 7.839 2.323 ( 6.710 3.874 -3.806) 8.633 3.685 ( -2.144 -1.238 7.859) 8.240 3.741 ( 12.990 7.500 -9.313) 17.656 4.856 ( -5.061 -2.922 -6.709) 8.897 5.133 ( -1.213 -0.701 17.769) 17.824 5.245 ( 5.279 3.048 -9.473) 11.265 6.460 ( -2.252 -1.300 2.731) 3.771 6.587 ( 5.693 3.287 4.300) 7.855 7.431 ( -3.383 -1.953 -8.141) 9.030 8.096 ( 5.319 3.071 0.597) 6.171 8.384 ( 5.738 3.313 -1.466) 6.786 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 2.422 1.398 -2.748) 3.921 2.436 ( 3.987 2.302 -3.194) 5.604 3.653 ( -2.899 -1.674 7.386) 8.109 3.957 ( 8.221 4.746 -17.399) 19.820 4.645 ( -8.146 -4.703 -2.456) 9.722 5.217 ( 1.168 0.674 18.787) 18.835 5.320 ( 3.503 2.022 -8.320) 9.251 6.381 ( -4.673 -2.698 -5.681) 7.835 6.686 ( 1.425 0.823 3.832) 4.170 7.387 ( 1.634 0.943 -2.428) 3.075 8.208 ( 3.261 1.883 2.759) 4.668 8.474 ( 2.319 1.339 -2.112) 3.410 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 2.116 1.222 -0.683) 2.537 2.487 ( 0.872 0.503 -1.574) 1.869 3.597 ( -3.725 -2.151 5.356) 6.869 3.963 ( -1.944 -1.122 -19.618) 19.746 4.553 ( 0.619 0.358 0.997) 1.227 5.269 ( -2.426 -1.401 16.262) 16.502 5.351 ( 1.447 0.835 -7.041) 7.237 6.220 ( -5.547 -3.202 -11.056) 12.777 6.674 ( -3.524 -2.035 3.485) 5.358 7.476 ( 5.315 3.068 0.470) 6.155 8.252 ( -0.517 -0.298 4.086) 4.129 8.485 ( -0.518 -0.299 -1.601) 1.710 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -0.395 -0.228 1.201) 1.285 2.454 ( -3.893 -2.248 0.626) 4.539 3.521 ( -3.508 -2.025 1.628) 4.366 3.811 ( -5.530 -3.193 -9.459) 11.412 4.623 ( 4.675 2.699 -3.593) 6.484 5.175 ( -10.216 -5.898 9.870) 15.381 5.343 ( -0.234 -0.135 -5.653) 5.659 6.106 ( 0.120 0.069 -10.486) 10.487 6.549 ( -7.977 -4.606 3.230) 9.761 7.580 ( 2.184 1.261 -2.140) 3.307 8.218 ( -3.091 -1.785 4.407) 5.671 8.468 ( -0.152 -0.088 1.888) 1.896 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -8.586 -4.957 1.705) 10.060 2.295 ( -10.318 -5.957 2.746) 12.226 3.456 ( -1.644 -0.949 -2.818) 3.397 3.669 ( -5.508 -3.180 0.520) 6.381 4.731 ( 5.228 3.018 -3.958) 7.218 4.846 ( -18.493 -10.677 1.712) 21.423 5.308 ( -1.223 -0.706 -4.106) 4.342 6.188 ( 9.281 5.359 -7.115) 12.864 6.334 ( -10.931 -6.311 2.902) 12.952 7.483 ( -10.026 -5.789 -7.323) 13.699 8.190 ( 0.460 0.265 3.906) 3.942 8.512 ( 2.644 1.526 6.373) 7.067 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -17.135 -9.893 1.478) 19.841 1.993 ( -16.168 -9.334 4.154) 19.125 3.429 ( 0.672 0.388 -6.329) 6.376 3.487 ( -13.705 -7.912 5.402) 16.721 4.363 ( -19.730 -11.391 2.438) 22.912 4.870 ( 6.970 4.024 -5.588) 9.798 5.263 ( -1.632 -0.942 -2.149) 2.858 6.072 ( -11.816 -6.822 2.176) 13.817 6.455 ( 13.204 7.623 -3.498) 15.643 7.099 ( -17.935 -10.355 -10.715) 23.317 8.255 ( 3.603 2.080 1.792) 4.530 8.619 ( 4.044 2.335 8.092) 9.343 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -0.000 11.587 21.060) 24.038 0.883 ( -0.000 16.183 18.469) 24.556 1.460 ( -0.000 30.916 23.268) 38.693 3.475 ( 0.000 -5.690 -8.448) 10.186 3.742 ( 0.000 7.915 -3.537) 8.670 5.084 ( 0.000 11.511 3.036) 11.904 5.153 ( -0.000 5.534 6.159) 8.280 5.480 ( 0.000 1.169 -2.968) 3.190 5.484 ( -0.000 -1.907 -0.381) 1.944 6.870 ( 0.000 24.870 -28.617) 37.914 8.609 ( -0.000 -4.351 5.912) 7.340 9.063 ( -0.000 -11.595 3.600) 12.141 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 1.652 12.314 17.298) 21.298 1.155 ( 5.195 19.014 12.404) 23.289 2.011 ( 15.560 29.987 8.262) 34.780 3.488 ( 10.055 -2.979 -5.043) 11.637 3.811 ( -0.728 8.222 -0.628) 8.279 5.050 ( -10.529 12.646 0.512) 16.463 5.296 ( 4.772 0.305 2.918) 5.601 5.519 ( 11.104 -7.661 0.421) 13.497 5.820 ( 19.978 16.605 0.717) 25.988 7.024 ( 6.872 7.120 -21.534) 23.699 8.532 ( -4.560 -6.716 3.925) 9.017 8.825 ( -14.583 -6.359 1.853) 16.016 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 7.495 13.843 7.032) 17.241 1.501 ( 8.023 18.579 6.896) 21.380 2.553 ( 14.984 21.087 -4.687) 26.289 3.693 ( 11.510 -0.504 -1.351) 11.600 3.923 ( 5.575 10.186 6.787) 13.450 5.024 ( -6.082 12.366 -3.494) 14.217 5.338 ( -0.474 0.165 4.654) 4.681 5.717 ( 18.153 -7.140 0.845) 19.525 6.316 ( 14.671 13.903 0.160) 20.213 7.154 ( 11.662 0.994 -7.987) 14.170 8.312 ( -13.951 -6.143 -1.807) 15.351 8.530 ( -11.742 -3.350 -0.744) 12.233 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 11.094 12.584 -1.614) 16.853 1.839 ( 7.393 17.308 2.867) 19.038 2.950 ( 13.254 14.318 -7.440) 20.881 3.776 ( -0.081 1.714 1.449) 2.246 4.279 ( 16.826 7.894 7.591) 20.076 5.064 ( -1.625 11.722 -5.609) 13.096 5.336 ( -1.811 -0.402 6.639) 6.894 5.982 ( 16.742 -3.140 2.462) 17.211 6.538 ( 3.794 0.799 -1.757) 4.257 7.453 ( 17.460 6.014 3.801) 18.854 7.966 ( -16.734 -1.537 -9.708) 19.407 8.333 ( -6.796 -3.397 -1.792) 7.806 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 10.249 9.288 -5.491) 14.882 2.120 ( 4.949 15.594 -0.081) 16.360 3.283 ( 12.574 11.179 -5.518) 17.706 3.784 ( -2.470 2.954 4.333) 5.797 4.626 ( 13.839 2.812 2.798) 14.396 5.141 ( 0.060 6.566 -5.096) 8.312 5.310 ( -4.134 2.740 5.709) 7.563 6.228 ( 11.965 -3.146 4.877) 13.298 6.559 ( 1.762 -0.770 1.109) 2.220 7.667 ( -12.376 1.369 -9.355) 15.575 7.818 ( 13.666 5.130 0.573) 14.608 8.226 ( -0.980 -0.942 -1.679) 2.160 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 6.640 5.480 -5.403) 10.164 2.327 ( 2.181 13.600 -1.807) 13.891 3.574 ( 11.000 7.861 -5.481) 14.589 3.787 ( -3.134 4.898 5.110) 7.741 4.827 ( 5.216 -0.182 -2.204) 5.666 5.103 ( -0.479 -6.517 2.334) 6.939 5.335 ( -3.714 12.549 -0.295) 13.090 6.323 ( 4.950 -9.309 5.159) 11.737 6.667 ( 4.228 9.105 1.570) 10.160 7.467 ( -7.355 -0.742 -9.994) 12.431 8.025 ( 6.267 2.750 1.172) 6.943 8.291 ( 6.659 1.605 -0.424) 6.862 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 3.178 2.597 -3.572) 5.441 2.465 ( -0.084 11.664 -2.150) 11.861 3.719 ( 0.185 0.274 2.840) 2.859 3.856 ( 3.335 9.774 -8.676) 13.488 4.718 ( -7.631 -5.578 -5.669) 11.021 5.176 ( 7.948 -1.466 10.153) 12.977 5.386 ( -4.191 10.898 -1.443) 11.765 6.288 ( 1.653 -10.491 -0.452) 10.630 6.826 ( -1.248 13.272 1.313) 13.395 7.340 ( -0.725 -3.105 -5.327) 6.209 8.154 ( 5.343 1.270 2.748) 6.141 8.408 ( 5.027 0.015 -1.578) 5.268 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 2.150 1.052 -1.999) 3.119 2.548 ( -2.222 9.816 -1.366) 10.156 3.684 ( -4.255 -0.962 4.311) 6.133 3.929 ( -0.439 5.931 -17.562) 18.541 4.562 ( -2.381 -2.816 -0.123) 3.690 5.315 ( 2.986 -1.641 14.798) 15.185 5.396 ( -4.236 8.992 -5.576) 11.397 6.169 ( -1.753 -9.128 -6.530) 11.360 6.862 ( -9.045 10.975 0.899) 14.251 7.370 ( 7.488 -1.786 -0.788) 7.739 8.239 ( 2.591 -1.143 3.931) 4.845 8.451 ( 2.039 -2.052 -2.217) 3.645 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 2.099 -0.571 -0.910) 2.358 2.569 ( -5.569 7.292 0.250) 9.179 3.593 ( -4.872 -2.359 1.848) 5.720 3.863 ( -5.468 3.758 -12.902) 14.508 4.566 ( 2.981 0.672 -0.852) 3.173 5.291 ( -6.163 -5.203 12.794) 15.125 5.402 ( -3.370 6.909 -7.063) 10.439 6.040 ( -1.033 -4.468 -7.600) 8.876 6.758 ( -12.309 5.427 1.645) 13.553 7.504 ( 7.098 0.479 -1.575) 7.286 8.245 ( -0.921 -3.066 4.203) 5.284 8.440 ( 1.217 -3.363 -0.549) 3.619 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -2.277 -3.821 -0.461) 4.472 2.481 ( -11.229 2.654 2.074) 11.723 3.498 ( -3.701 -1.398 0.023) 3.956 3.761 ( -6.299 3.502 -5.183) 8.877 4.645 ( 5.113 2.103 -4.249) 6.973 5.067 ( -15.619 -9.526 8.397) 20.130 5.372 ( -3.775 5.668 -6.559) 9.454 6.025 ( 4.585 -0.521 -4.621) 6.530 6.567 ( -13.589 1.877 1.558) 13.806 7.550 ( -2.636 -0.292 -5.921) 6.488 8.195 ( -1.187 -3.145 3.737) 5.026 8.455 ( 4.218 -3.163 3.322) 6.232 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -11.505 -7.324 -0.354) 13.643 2.238 ( -17.013 -2.537 3.195) 17.496 3.430 ( -3.204 -0.642 -2.399) 4.054 3.673 ( -7.638 3.320 0.025) 8.328 4.618 ( -20.289 -11.760 0.943) 23.470 4.775 ( 4.763 2.923 -0.015) 5.588 5.351 ( -4.203 7.459 -4.505) 9.675 6.082 ( 1.278 -7.761 0.679) 7.895 6.411 ( -2.931 5.582 -1.332) 6.444 7.334 ( -17.005 -1.544 -8.461) 19.057 8.205 ( 3.387 -0.891 1.928) 3.998 8.540 ( 6.779 -3.047 5.274) 9.114 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -0.000 15.043 14.743) 21.063 1.349 ( -0.000 18.838 11.830) 22.244 2.265 ( 0.000 36.271 5.614) 36.703 3.329 ( 0.000 -3.202 -6.172) 6.953 3.911 ( 0.000 10.128 0.045) 10.128 5.187 ( 0.000 -2.465 -2.936) 3.833 5.239 ( -0.000 -3.985 8.308) 9.214 5.625 ( 0.000 11.831 3.774) 12.419 5.674 ( 0.000 24.951 -6.062) 25.677 6.951 ( 0.000 0.449 -14.521) 14.527 8.507 ( -0.000 -8.223 2.731) 8.665 8.898 ( -0.000 -6.309 -0.664) 6.344 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -0.238 15.950 9.300) 18.465 1.617 ( 4.671 18.906 7.987) 21.049 2.638 ( 2.596 28.717 -4.583) 29.196 3.431 ( 13.882 0.406 -2.600) 14.129 4.026 ( 0.141 12.264 4.459) 13.050 5.190 ( -2.418 -4.075 7.559) 8.922 5.296 ( 16.054 -3.905 -4.633) 17.159 5.541 ( -12.945 16.349 -0.432) 20.858 6.204 ( 17.113 19.522 -0.352) 25.963 6.939 ( 7.099 -4.869 -6.512) 10.794 8.389 ( -4.479 -7.943 -0.147) 9.120 8.725 ( -11.568 -3.841 -2.592) 12.462 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 3.257 14.951 1.811) 15.408 1.933 ( 6.318 18.930 5.407) 20.676 2.924 ( 5.743 19.704 -7.854) 21.975 3.679 ( 11.647 0.828 -4.016) 12.348 4.225 ( 4.836 13.735 9.052) 17.145 5.147 ( -0.570 -3.019 6.224) 6.941 5.499 ( -5.268 9.791 -0.430) 11.126 5.596 ( 17.663 2.289 -3.175) 18.092 6.489 ( 2.775 2.559 -1.339) 4.006 7.168 ( 20.231 3.761 0.739) 20.591 8.187 ( -10.722 -4.199 -3.719) 12.100 8.460 ( -12.272 -2.251 -3.116) 12.860 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 6.208 11.974 -2.964) 13.809 2.238 ( 4.234 18.976 3.457) 19.748 3.204 ( 8.723 14.569 -5.410) 17.821 3.816 ( 4.262 2.546 -1.996) 5.350 4.480 ( 7.958 7.458 5.103) 12.041 5.140 ( 0.741 -4.389 4.403) 6.261 5.514 ( -6.282 14.538 0.042) 15.837 5.941 ( 18.919 0.073 -0.135) 18.920 6.486 ( 1.563 -4.371 0.103) 4.643 7.571 ( 17.354 3.862 -2.832) 18.003 7.931 ( -13.684 2.428 -2.734) 14.164 8.266 ( -6.108 -1.699 -2.006) 6.650 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 5.834 8.336 -3.965) 10.919 2.477 ( 0.536 18.100 1.547) 18.174 3.472 ( 8.939 9.603 -3.732) 13.640 3.895 ( 0.057 6.575 1.025) 6.655 4.692 ( 9.572 2.519 1.927) 10.084 5.064 ( -3.186 -8.835 0.927) 9.438 5.573 ( -5.527 16.668 -0.659) 17.573 6.172 ( 6.624 -4.014 4.308) 8.863 6.562 ( 11.508 0.880 -1.799) 11.681 7.603 ( -9.064 0.182 -11.024) 14.273 7.948 ( 6.394 4.740 3.992) 8.904 8.215 ( 1.952 0.073 0.137) 1.958 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 3.251 5.146 -2.898) 6.742 2.637 ( -2.407 16.450 0.556) 16.634 3.659 ( 5.643 3.153 -3.647) 7.422 3.968 ( -2.025 11.060 -0.282) 11.247 4.770 ( -6.159 -3.610 -6.010) 9.332 5.002 ( 10.812 -5.285 7.848) 14.368 5.631 ( -7.230 16.585 -1.235) 18.135 6.172 ( 0.871 -7.480 2.170) 7.837 6.831 ( 13.143 6.169 -1.374) 14.584 7.403 ( -10.064 0.807 -6.855) 12.203 8.082 ( 4.865 1.304 2.748) 5.738 8.300 ( 5.915 -0.781 0.043) 5.967 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.928 2.972 -1.692) 3.544 2.736 ( -4.374 14.686 0.718) 15.340 3.700 ( -0.004 -2.103 -3.586) 4.157 4.030 ( -3.956 12.221 -6.397) 14.350 4.576 ( -4.764 -5.010 -3.448) 7.726 5.215 ( 10.700 -2.573 10.547) 15.243 5.632 ( -9.916 14.079 -2.068) 17.344 6.100 ( -0.707 -5.625 -2.193) 6.079 7.099 ( 6.812 11.149 -0.844) 13.092 7.229 ( -5.928 -3.000 -3.366) 7.448 8.174 ( 4.230 -1.550 3.697) 5.828 8.365 ( 3.802 -3.256 -1.366) 5.188 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 0.372 1.383 -1.172) 1.851 2.783 ( -6.693 12.387 1.605) 14.171 3.616 ( -2.861 -4.840 -4.243) 7.044 4.017 ( -7.401 10.099 -7.614) 14.654 4.519 ( 1.866 -1.172 -0.792) 2.341 5.331 ( 1.928 -5.491 11.097) 12.530 5.559 ( -9.142 7.781 -4.628) 12.866 6.045 ( -2.511 3.263 -4.009) 5.747 7.038 ( -12.165 2.240 -0.510) 12.380 7.347 ( 10.230 3.952 -1.983) 11.145 8.215 ( 1.884 -3.740 3.931) 5.744 8.363 ( 1.935 -5.382 -1.341) 5.874 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -0.668 -0.706 -1.251) 1.584 2.741 ( -11.265 7.590 2.451) 13.803 3.515 ( -1.600 -3.694 -2.158) 4.568 3.942 ( -8.923 8.106 -4.790) 12.972 4.572 ( 3.970 1.191 -2.601) 4.893 5.234 ( -8.898 -7.941 8.604) 14.706 5.470 ( -4.695 3.639 -4.569) 7.494 6.049 ( -3.493 9.599 -3.344) 10.748 6.813 ( -13.105 -2.725 0.128) 13.386 7.528 ( 5.062 5.633 -4.435) 8.776 8.188 ( -1.157 -5.008 3.342) 6.131 8.342 ( 3.526 -6.244 0.839) 7.220 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -6.040 -3.164 -1.888) 7.075 2.544 ( -16.927 1.355 2.574) 17.175 3.468 ( -1.690 -1.071 -0.134) 2.005 3.850 ( -8.093 6.406 -2.534) 10.628 4.648 ( 3.339 1.148 -5.504) 6.539 4.937 ( -16.494 -7.670 8.182) 19.945 5.461 ( -0.884 6.014 -2.215) 6.470 6.072 ( -3.828 6.544 -1.316) 7.695 6.547 ( -10.656 -5.044 -0.731) 11.812 7.559 ( -7.769 6.721 -6.816) 12.328 8.136 ( 1.642 -5.054 2.453) 5.853 8.379 ( 6.813 -5.971 2.317) 9.351 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 0.000 15.660 6.094) 16.804 1.772 ( 0.000 16.630 4.799) 17.309 2.918 ( 0.000 27.294 -8.218) 28.505 3.290 ( 0.000 2.017 -0.070) 2.018 4.179 ( 0.000 15.238 5.455) 16.185 5.087 ( 0.000 -3.057 -7.291) 7.906 5.167 ( -0.000 -7.352 9.817) 12.264 5.930 ( 0.000 14.259 5.205) 15.179 6.212 ( 0.000 28.586 -5.298) 29.073 6.776 ( -0.000 -10.785 -1.509) 10.890 8.343 ( -0.000 -7.482 -1.566) 7.644 8.772 ( 0.000 -4.818 -4.421) 6.539 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -1.269 13.870 0.789) 13.951 2.004 ( 6.630 15.279 2.640) 16.863 3.080 ( -2.071 19.610 -8.218) 21.363 3.465 ( 11.734 3.935 -1.373) 12.452 4.372 ( 0.485 16.709 7.099) 18.161 5.102 ( 2.441 -7.295 5.463) 9.435 5.199 ( 12.391 -2.152 -1.821) 12.708 5.924 ( -13.426 18.037 1.588) 22.542 6.488 ( 0.608 3.987 -1.377) 4.262 6.859 ( 18.571 4.012 1.759) 19.081 8.239 ( -3.394 -5.040 -3.086) 6.815 8.624 ( -8.996 -3.588 -5.258) 11.020 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 1.608 11.439 -2.733) 11.870 2.316 ( 9.074 15.620 2.865) 18.290 3.241 ( 2.702 15.112 -5.542) 16.321 3.686 ( 10.237 3.092 -2.945) 11.092 4.537 ( -0.408 9.857 5.393) 11.243 5.092 ( 1.183 -4.326 6.564) 7.950 5.477 ( 19.023 -0.872 -0.758) 19.058 5.910 ( -7.334 16.783 -0.406) 18.320 6.450 ( -1.710 -3.348 1.213) 3.951 7.285 ( 19.117 5.748 -0.439) 19.967 8.109 ( -6.531 -0.637 -3.193) 7.297 8.397 ( -10.558 -1.453 -4.175) 11.446 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 4.029 9.018 -3.105) 10.354 2.621 ( 5.434 16.137 2.671) 17.235 3.426 ( 5.811 8.731 -3.077) 10.930 3.886 ( 8.150 6.595 -1.853) 10.647 4.614 ( 2.409 1.558 4.244) 5.123 5.059 ( -3.559 -3.398 1.150) 5.053 5.741 ( 6.274 4.446 4.683) 9.003 6.058 ( 7.837 11.805 -2.970) 14.478 6.405 ( 0.665 -2.003 -0.190) 2.119 7.561 ( 8.887 -1.217 -5.430) 10.485 8.011 ( -4.853 5.152 0.358) 7.086 8.240 ( -4.867 0.064 -1.260) 5.028 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 3.437 6.512 -2.059) 7.645 2.837 ( 0.119 15.553 1.905) 15.669 3.583 ( 5.644 2.897 -1.795) 6.593 4.081 ( 3.426 11.374 -0.885) 11.912 4.735 ( 10.818 -2.303 5.283) 12.257 4.887 ( -9.814 -5.177 -4.154) 11.848 5.868 ( 0.370 9.132 3.762) 9.884 6.184 ( -6.037 5.891 -0.560) 8.453 6.553 ( 18.273 -0.400 -3.392) 18.590 7.547 ( -4.612 0.523 -6.488) 7.978 8.049 ( 1.578 3.074 2.199) 4.095 8.218 ( 1.848 -0.339 0.929) 2.096 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 1.165 4.304 -0.975) 4.564 2.966 ( -3.155 14.481 2.094) 14.968 3.652 ( 1.871 -1.595 -2.547) 3.540 4.211 ( -2.112 13.173 -2.717) 13.615 4.631 ( -9.851 -4.496 -5.822) 12.294 4.970 ( 15.726 -4.320 7.714) 18.041 5.971 ( -6.556 16.087 1.330) 17.423 6.070 ( -4.738 -2.384 -0.913) 5.382 6.857 ( 16.617 -2.117 -3.662) 17.147 7.448 ( -8.121 7.464 -3.669) 11.624 8.106 ( 2.693 -0.959 2.796) 3.999 8.258 ( 3.538 -3.495 0.351) 4.986 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -0.771 2.565 -0.508) 2.726 3.040 ( -5.697 13.340 3.151) 14.844 3.594 ( -2.492 -5.354 -4.368) 7.345 4.249 ( -7.628 12.829 -5.416) 15.878 4.478 ( -0.692 -2.760 -1.762) 3.347 5.189 ( 10.731 -5.925 6.983) 14.108 5.824 ( -14.520 3.605 -1.160) 15.005 6.138 ( 0.848 11.728 -0.447) 11.767 7.005 ( 7.017 -9.334 -4.063) 12.364 7.427 ( -5.180 14.828 -1.527) 15.781 8.141 ( 2.937 -3.777 3.201) 5.756 8.260 ( 2.447 -6.440 -0.363) 6.899 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -1.517 1.046 -0.588) 1.934 3.032 ( -10.570 9.014 3.546) 14.337 3.484 ( -1.020 -4.306 -3.198) 5.460 4.182 ( -9.920 8.942 -3.459) 13.797 4.507 ( 3.854 0.959 -1.527) 4.255 5.242 ( 0.944 -7.934 3.429) 8.694 5.623 ( -10.302 1.991 1.100) 10.550 6.258 ( -3.718 16.364 -2.094) 16.911 6.898 ( -4.411 -11.691 -3.022) 12.856 7.539 ( 1.239 13.005 -2.631) 13.326 8.149 ( 1.114 -4.835 2.933) 5.763 8.222 ( 2.302 -7.585 0.152) 7.928 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -3.355 -0.318 -1.446) 3.667 2.857 ( -15.674 1.140 2.142) 15.861 3.469 ( 0.729 0.536 0.796) 1.206 4.069 ( -10.297 5.460 -1.607) 11.765 4.590 ( 3.843 2.783 -2.794) 5.507 5.096 ( -8.011 -8.018 1.447) 11.426 5.539 ( -3.640 3.916 4.373) 6.908 6.306 ( -8.491 14.467 -2.645) 16.982 6.636 ( -9.199 -11.604 -2.790) 15.068 7.681 ( 1.627 11.065 -5.263) 12.360 8.076 ( -1.944 -8.306 2.719) 8.953 8.226 ( 4.583 -4.623 0.979) 6.583 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 0.000 11.611 -2.714) 11.924 2.064 ( 0.000 11.075 -1.929) 11.242 3.250 ( 0.000 13.448 -11.700) 17.825 3.421 ( -0.000 8.353 6.961) 10.873 4.559 ( 0.000 14.659 5.146) 15.536 4.982 ( 0.000 -1.986 -8.412) 8.643 5.123 ( -0.000 -1.910 12.581) 12.725 6.250 ( 0.000 13.882 3.982) 14.442 6.467 ( -0.000 -11.684 4.585) 12.552 6.766 ( 0.000 19.768 -3.257) 20.034 8.213 ( 0.000 -2.910 -3.576) 4.610 8.640 ( 0.000 -4.580 -6.354) 7.833 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -1.168 8.747 -5.021) 10.153 2.263 ( 10.642 10.089 -2.260) 14.837 3.328 ( 0.479 9.371 -7.378) 11.936 3.596 ( 5.576 8.544 5.451) 11.567 4.654 ( -1.778 3.386 3.978) 5.518 5.020 ( 7.090 -0.770 -4.637) 8.506 5.242 ( 6.799 6.755 8.177) 12.598 6.190 ( -10.317 1.120 5.566) 11.776 6.471 ( 1.175 3.843 2.455) 4.710 7.070 ( 12.521 11.546 -2.396) 17.200 8.167 ( -2.292 0.507 -3.404) 4.135 8.514 ( -6.372 -3.356 -5.827) 9.264 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 2.286 7.392 -3.761) 8.603 2.589 ( 13.936 10.421 -0.903) 17.425 3.409 ( 2.974 4.450 -3.377) 6.329 3.807 ( 7.253 8.306 2.644) 11.340 4.625 ( -1.715 -3.612 4.500) 6.020 5.116 ( 0.524 4.931 -2.596) 5.597 5.523 ( 15.608 4.305 3.654) 16.598 6.084 ( -2.059 -2.141 4.834) 5.674 6.527 ( -4.901 12.094 -0.671) 13.066 7.345 ( 11.762 0.857 -2.421) 12.039 8.129 ( -3.450 4.071 -2.267) 5.798 8.349 ( -7.257 -0.805 -3.287) 8.007 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 3.732 5.979 -1.851) 7.287 2.906 ( 8.990 10.916 -0.415) 14.148 3.504 ( 5.149 0.931 0.420) 5.249 4.046 ( 10.137 7.807 0.774) 12.819 4.586 ( 1.910 -6.286 4.818) 8.147 5.072 ( -10.479 6.001 -5.081) 13.101 5.829 ( 10.559 2.012 6.517) 12.570 6.156 ( 13.936 -2.391 -1.351) 14.204 6.524 ( -10.239 13.774 -1.895) 17.267 7.484 ( 7.083 -2.864 -3.301) 8.322 8.112 ( -3.091 4.531 -0.706) 5.530 8.245 ( -3.794 0.643 -0.160) 3.852 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 2.532 4.161 -0.603) 4.909 3.113 ( 2.592 10.748 0.150) 11.057 3.585 ( 3.366 -1.796 0.826) 3.903 4.292 ( 6.070 8.423 -0.434) 10.392 4.624 ( 9.771 -9.079 5.331) 14.364 4.879 ( -13.341 5.902 -6.397) 15.929 5.985 ( 5.147 1.797 4.997) 7.395 6.363 ( -6.086 5.736 -1.240) 8.455 6.520 ( 11.615 3.057 -3.303) 12.457 7.550 ( 2.466 2.964 -3.113) 4.956 8.100 ( -1.640 1.012 0.650) 2.034 8.206 ( -1.036 -1.555 1.033) 2.136 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 0.228 2.398 -0.132) 2.413 3.236 ( -0.938 10.726 1.871) 10.928 3.565 ( -1.531 -5.607 -1.291) 5.954 4.398 ( 1.055 3.762 -0.876) 4.004 4.594 ( -12.096 6.851 -4.322) 14.558 4.905 ( 14.707 -6.158 3.837) 16.399 6.065 ( -5.270 2.920 -1.330) 6.169 6.245 ( -4.356 5.965 4.190) 8.492 6.759 ( 11.388 -1.722 -4.916) 12.522 7.624 ( -0.978 10.633 -1.903) 10.846 8.081 ( 0.346 -2.660 1.405) 3.029 8.165 ( 0.186 -5.912 0.928) 5.987 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -1.563 0.985 -0.072) 1.848 3.288 ( -7.269 6.696 3.030) 10.337 3.451 ( -1.149 -4.260 -1.818) 4.771 4.436 ( -4.662 1.242 -1.076) 4.943 4.467 ( -4.138 8.740 -1.410) 9.772 5.074 ( 9.720 -7.501 0.633) 12.295 5.870 ( -14.359 2.673 1.385) 14.671 6.377 ( 6.238 5.181 1.415) 8.232 6.812 ( -0.393 -2.735 -5.470) 6.128 7.697 ( -3.612 11.511 -1.865) 12.208 8.081 ( 2.386 -3.260 1.919) 4.472 8.108 ( 1.698 -7.832 0.908) 8.065 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -2.450 0.118 -0.429) 2.490 3.101 ( -12.567 -4.375 0.337) 13.311 3.484 ( 0.914 4.950 2.885) 5.801 4.300 ( -11.026 3.001 0.081) 11.427 4.551 ( 3.723 4.104 -0.120) 5.542 5.078 ( 0.317 -7.265 -3.894) 8.249 5.706 ( -8.648 3.868 6.054) 11.242 6.461 ( 0.711 -6.888 -2.378) 7.322 6.712 ( -8.412 7.279 -4.071) 11.846 7.720 ( -0.275 3.179 -3.404) 4.665 8.048 ( -0.761 -4.307 1.386) 4.588 8.138 ( 3.322 -0.051 1.642) 3.706 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 0.000 6.121 -7.444) 9.638 2.213 ( 0.000 6.393 -4.233) 7.667 3.366 ( 0.000 4.452 -5.304) 6.925 3.682 ( -0.000 10.743 8.835) 13.910 4.675 ( -0.000 -4.016 3.753) 5.496 4.901 ( 0.000 -0.701 -6.942) 6.978 5.355 ( -0.000 14.971 7.515) 16.751 6.249 ( -0.000 -12.687 10.398) 16.404 6.532 ( 0.000 11.617 2.035) 11.794 7.093 ( 0.000 13.411 -4.693) 14.209 8.193 ( 0.000 3.251 -3.407) 4.709 8.509 ( 0.000 -3.994 -5.784) 7.029 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 0.572 4.952 -4.990) 7.053 2.393 ( 13.768 5.497 -3.962) 15.345 3.390 ( 1.155 0.713 -1.305) 1.883 3.833 ( 2.251 8.954 5.883) 10.947 4.618 ( -1.655 -5.697 3.717) 7.000 4.996 ( 11.785 1.826 -4.992) 12.928 5.519 ( -0.413 12.997 3.108) 13.370 6.114 ( -4.616 -8.932 9.902) 14.112 6.683 ( 2.279 11.383 0.645) 11.627 7.219 ( 3.681 5.289 -3.580) 7.371 8.212 ( -1.718 5.415 -2.984) 6.417 8.419 ( -3.802 -2.517 -3.867) 5.979 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 3.461 4.408 -1.878) 5.910 2.732 ( 18.099 5.587 -3.228) 19.214 3.428 ( 3.721 -1.470 3.106) 5.065 3.977 ( 4.836 5.508 2.187) 7.649 4.545 ( -1.515 -5.045 3.083) 6.103 5.224 ( 5.198 7.783 -4.582) 10.421 5.654 ( 7.667 5.416 1.635) 9.529 6.007 ( -0.727 -7.269 6.584) 9.834 6.811 ( -3.968 14.301 -0.686) 14.857 7.301 ( 6.558 -3.133 -2.127) 7.573 8.215 ( -3.320 5.133 -2.409) 6.571 8.323 ( -4.224 -0.207 -1.028) 4.352 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 3.769 3.050 -0.360) 4.862 3.060 ( 12.784 6.058 -3.593) 14.596 3.504 ( 4.586 -2.664 5.514) 7.650 4.163 ( 11.653 2.802 1.296) 12.055 4.487 ( -0.389 -4.663 2.354) 5.238 5.197 ( -13.381 8.694 -5.804) 16.980 5.925 ( 7.319 2.349 7.258) 10.572 6.041 ( 17.985 -5.970 -2.755) 19.149 6.789 ( -12.884 11.188 0.166) 17.064 7.418 ( 10.700 -1.776 -1.348) 10.930 8.177 ( -4.574 2.613 -1.630) 5.514 8.255 ( -3.981 0.115 0.529) 4.017 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 2.173 1.392 0.016) 2.581 3.279 ( 6.534 6.574 -2.211) 9.529 3.524 ( 0.059 -5.611 2.696) 6.225 4.394 ( 3.724 2.679 -0.392) 4.604 4.511 ( 14.031 -5.027 3.478) 15.305 4.985 ( -16.305 6.964 -3.766) 18.125 6.027 ( 7.063 -2.080 2.442) 7.758 6.321 ( 7.590 -1.096 -3.149) 8.290 6.674 ( -5.193 6.731 2.836) 8.962 7.613 ( 9.853 3.979 -0.682) 10.648 8.104 ( -4.374 -0.163 -0.852) 4.460 8.170 ( -4.839 -2.478 0.495) 5.459 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -0.010 -0.020 0.005) 0.023 3.411 ( -4.884 -8.253 -0.009) 9.590 3.427 ( 3.421 6.691 0.008) 7.515 4.421 ( 0.913 1.273 0.022) 1.567 4.770 ( -10.994 1.009 0.239) 11.043 4.776 ( 12.349 0.404 -0.241) 12.358 6.146 ( 0.040 2.737 -0.594) 2.801 6.204 ( -3.749 -7.103 0.568) 8.052 6.804 ( 5.410 5.781 0.014) 7.918 7.800 ( 3.847 4.947 0.005) 6.267 8.034 ( -1.714 -1.486 -0.200) 2.277 8.054 ( -2.713 -3.788 0.187) 4.663 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -1.499 -0.786 -0.022) 1.692 3.203 ( -7.874 -9.627 -0.575) 12.450 3.543 ( 1.532 6.728 2.069) 7.204 4.452 ( -1.476 1.664 -0.644) 2.316 4.601 ( -7.016 0.454 4.078) 8.127 4.935 ( 6.728 -2.433 -5.178) 8.832 5.955 ( -13.069 2.945 4.979) 14.292 6.249 ( 7.642 -12.412 -3.870) 15.081 6.909 ( -1.475 10.052 -1.348) 10.248 7.738 ( -5.385 -8.076 -1.373) 9.803 8.024 ( 0.947 -0.020 0.300) 0.994 8.109 ( 4.401 6.095 1.124) 7.602 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 0.000 3.054 -4.606) 5.527 2.292 ( 0.000 4.132 -2.661) 4.915 3.374 ( -0.000 -2.028 1.975) 2.830 3.916 ( -0.000 6.815 3.680) 7.745 4.599 ( -0.000 -3.702 2.365) 4.393 4.873 ( 0.000 1.218 -1.548) 1.969 5.669 ( 0.000 11.940 -0.567) 11.954 6.102 ( -0.000 -9.466 11.257) 14.708 6.736 ( 0.000 7.559 0.006) 7.559 7.257 ( 0.000 6.534 -3.471) 7.399 8.277 ( 0.000 6.193 -3.091) 6.921 8.412 ( 0.000 -2.563 -2.565) 3.626 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 2.159 2.951 -1.169) 3.838 2.459 ( 14.322 3.405 -1.980) 14.853 3.372 ( 1.655 -2.696 5.481) 6.328 3.981 ( 1.167 3.076 -0.409) 3.315 4.550 ( -2.379 -2.415 1.842) 3.858 5.039 ( 14.618 3.617 1.076) 15.097 5.730 ( -3.500 7.291 -3.464) 8.799 6.008 ( -3.617 -8.032 9.098) 12.664 6.873 ( 7.175 6.551 -0.393) 9.724 7.271 ( -3.411 2.851 -2.227) 4.972 8.308 ( -2.127 4.969 -2.942) 6.154 8.369 ( -1.940 -0.852 -0.281) 2.137 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 3.618 2.072 0.347) 4.184 2.795 ( 19.231 3.070 -2.836) 19.680 3.422 ( 3.819 -2.309 8.649) 9.732 4.038 ( 4.854 0.248 -1.604) 5.118 4.493 ( -2.370 -1.420 1.407) 3.101 5.349 ( 8.544 5.630 -1.328) 10.318 5.720 ( 4.084 0.656 -3.688) 5.542 5.916 ( -0.853 -5.126 7.194) 8.874 7.073 ( -0.676 11.487 0.695) 11.528 7.201 ( 3.118 -5.595 -1.234) 6.523 8.279 ( -4.279 2.479 -2.465) 5.526 8.326 ( -3.262 0.309 0.853) 3.386 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 3.301 0.548 0.399) 3.370 3.119 ( 15.069 2.343 -4.510) 15.903 3.474 ( 1.294 -4.099 6.748) 8.001 4.187 ( 13.027 -0.835 1.242) 13.113 4.451 ( -1.922 0.057 0.838) 2.098 5.296 ( -12.771 3.261 -3.732) 13.699 5.838 ( 8.122 -8.963 -1.842) 12.236 6.080 ( 17.402 5.789 4.383) 18.857 6.935 ( -14.315 1.362 2.586) 14.610 7.412 ( 14.720 2.085 0.185) 14.869 8.198 ( -5.676 0.747 -2.223) 6.141 8.250 ( -5.432 -1.054 0.562) 5.562 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 1.781 -0.899 0.114) 1.998 3.316 ( 6.846 -5.012 -2.173) 8.758 3.438 ( -0.219 -0.081 0.643) 0.685 4.425 ( 6.328 -3.912 1.085) 7.518 4.458 ( 8.810 2.487 0.485) 9.167 5.074 ( -13.445 2.332 0.506) 13.655 5.892 ( 9.587 -8.907 -2.805) 13.384 6.386 ( 1.939 6.396 -0.264) 6.689 6.756 ( -1.431 -1.720 5.607) 6.037 7.678 ( 11.549 1.728 1.838) 11.821 8.099 ( -4.747 0.295 -1.607) 5.020 8.118 ( -6.964 -1.723 -1.078) 7.255 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 0.000 2.916 1.052) 3.100 2.355 ( 0.000 2.975 0.186) 2.981 3.357 ( -0.000 -1.690 8.051) 8.227 3.973 ( 0.000 -0.923 -4.790) 4.878 4.572 ( -0.000 -0.352 0.593) 0.690 4.938 ( -0.000 3.378 6.137) 7.005 5.808 ( 0.000 3.760 -6.024) 7.101 5.990 ( -0.000 -8.305 8.244) 11.702 6.830 ( 0.000 2.115 -1.833) 2.798 7.350 ( 0.000 4.609 -0.888) 4.694 8.358 ( 0.000 2.535 -2.407) 3.495 8.384 ( -0.000 0.786 0.785) 1.111 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 1.399 2.547 2.057) 3.560 2.515 ( 13.637 2.545 0.647) 13.888 3.396 ( 1.581 0.103 10.540) 10.658 3.947 ( 2.587 -3.691 -6.268) 7.721 4.540 ( -2.876 0.138 0.863) 3.006 5.138 ( 14.166 3.050 6.402) 15.842 5.753 ( -4.551 -1.477 -9.075) 10.259 5.915 ( -1.998 -5.631 7.388) 9.502 6.922 ( 9.917 -1.134 -1.954) 10.171 7.337 ( -6.388 4.244 0.983) 7.732 8.348 ( -2.332 1.153 -1.988) 3.275 8.381 ( -1.924 0.762 1.340) 2.465 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 2.203 0.798 1.525) 2.795 2.820 ( 17.471 0.545 -1.837) 17.576 3.458 ( 0.671 -0.597 9.211) 9.255 3.983 ( 8.459 -3.442 -2.337) 9.427 4.501 ( -2.414 1.119 0.963) 2.829 5.399 ( 4.961 -1.224 1.769) 5.407 5.618 ( 1.662 -5.802 -7.700) 9.783 5.927 ( 6.399 0.898 6.589) 9.228 7.047 ( 4.236 -9.038 -0.912) 10.023 7.294 ( -0.943 9.129 2.955) 9.642 8.283 ( -4.456 -0.591 -2.556) 5.171 8.335 ( -4.537 -0.108 1.359) 4.737 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 2.117 -1.032 0.816) 2.492 3.068 ( 13.137 -5.394 -3.470) 14.619 3.453 ( -1.430 -0.712 2.892) 3.304 4.155 ( 13.184 -3.475 2.013) 13.783 4.493 ( -1.016 3.224 1.269) 3.611 5.264 ( -9.219 -4.686 -1.202) 10.412 5.653 ( 7.393 -6.497 -4.481) 10.814 6.224 ( 18.061 4.801 4.387) 19.196 6.867 ( -9.914 -9.350 3.003) 13.954 7.511 ( 10.972 6.376 2.708) 12.976 8.175 ( -5.120 -1.948 -2.178) 5.895 8.225 ( -7.037 -0.982 -0.399) 7.116 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -0.000 4.127 3.619) 5.489 2.412 ( -0.000 1.488 2.595) 2.991 3.435 ( -0.000 2.311 12.201) 12.418 3.838 ( 0.000 -6.931 -8.849) 11.240 4.574 ( 0.000 0.146 -0.017) 0.147 5.065 ( -0.000 3.131 9.842) 10.328 5.717 ( 0.000 -7.088 -11.396) 13.420 5.911 ( -0.000 -3.706 6.986) 7.908 6.794 ( 0.000 -3.880 -3.367) 5.137 7.437 ( -0.000 3.206 2.537) 4.088 8.366 ( 0.000 -0.828 -2.523) 2.655 8.417 ( -0.000 1.781 2.325) 2.929 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -1.276 1.827 3.061) 3.786 2.556 ( 12.118 0.013 1.514) 12.212 3.499 ( -0.759 1.703 10.364) 10.531 3.788 ( 6.356 -6.593 -5.488) 10.677 4.555 ( -2.026 0.971 0.698) 2.352 5.230 ( 10.482 1.092 8.339) 13.438 5.551 ( -3.131 -11.055 -11.407) 16.190 5.899 ( -0.168 -0.201 5.345) 5.351 6.811 ( 8.302 -7.686 -3.042) 11.715 7.439 ( -3.561 3.193 4.456) 6.537 8.316 ( -2.282 -2.970 -2.526) 4.518 8.420 ( -3.230 2.282 1.404) 4.197 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 0.188 -1.181 2.155) 2.465 2.763 ( 13.246 -5.799 -1.838) 14.576 3.490 ( -2.196 -0.803 2.965) 3.776 3.905 ( 11.910 -3.765 2.223) 12.687 4.549 ( -1.161 2.879 1.988) 3.686 5.298 ( -4.641 -10.951 -3.325) 12.350 5.454 ( 8.565 -3.258 -2.218) 9.429 6.008 ( 10.494 2.822 4.593) 11.797 6.817 ( 2.503 -12.926 -0.574) 13.178 7.478 ( 2.893 5.831 5.282) 8.383 8.217 ( -3.899 -3.820 -2.363) 5.948 8.348 ( -7.063 1.136 -0.325) 7.161 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -0.000 0.700 2.789) 2.876 2.430 ( -0.000 -2.341 2.746) 3.608 3.578 ( -0.000 2.800 11.484) 11.820 3.614 ( 0.000 -8.677 -7.154) 11.246 4.589 ( -0.000 1.742 0.863) 1.944 5.179 ( -0.000 1.455 9.725) 9.833 5.396 ( 0.000 -16.578 -11.575) 20.219 5.941 ( -0.000 3.261 5.049) 6.010 6.632 ( 0.000 -9.305 -4.402) 10.293 7.493 ( -0.000 -1.497 5.989) 6.173 8.290 ( 0.000 -4.004 -2.473) 4.706 8.488 ( 0.000 3.936 0.083) 3.936 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -2.529 -3.645 2.451) 5.068 2.494 ( 8.948 -7.430 -0.446) 11.640 3.506 ( -0.859 -4.180 -1.143) 4.418 3.703 ( 7.698 -1.525 5.563) 9.619 4.610 ( -1.116 3.742 2.863) 4.842 5.162 ( -0.719 -19.711 -10.070) 22.146 5.300 ( 7.894 0.633 7.245) 10.733 5.984 ( -1.209 5.474 3.403) 6.558 6.590 ( 6.937 -11.405 -2.897) 13.660 7.483 ( 1.197 -4.021 7.167) 8.304 8.226 ( -2.161 -2.976 -2.420) 4.402 8.481 ( -5.099 3.665 -1.739) 6.516 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -0.000 -9.655 0.642) 9.676 2.314 ( -0.000 -10.499 -0.895) 10.537 3.443 ( -0.000 -4.664 -0.340) 4.676 3.652 ( -0.000 -1.973 3.967) 4.430 4.680 ( -0.000 5.047 4.957) 7.074 4.909 ( -0.000 -23.268 -9.447) 25.113 5.250 ( -0.000 -0.172 7.232) 7.234 6.128 ( 0.000 11.933 4.581) 12.782 6.372 ( -0.000 -12.964 -4.394) 13.688 7.404 ( -0.000 -12.959 8.270) 15.373 8.221 ( 0.000 -0.167 -2.236) 2.242 8.564 ( 0.000 4.677 -3.968) 6.134 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -0.000 0.000 22.857) 22.857 0.758 ( -0.000 0.000 22.857) 22.857 1.264 ( -0.000 0.000 38.175) 38.175 3.569 ( 0.000 -0.000 -7.904) 7.904 3.569 ( 0.000 -0.000 -7.904) 7.904 5.033 ( -0.000 0.000 5.698) 5.698 5.033 ( -0.000 0.000 5.698) 5.698 5.517 ( 0.000 0.000 -1.930) 1.930 5.517 ( 0.000 -0.000 -1.930) 1.930 6.297 ( 0.000 -0.000 -14.143) 14.143 8.678 ( -0.000 0.000 7.667) 7.667 9.246 ( 0.000 -0.000 -1.990) 1.990 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 9.148 5.281 17.575) 20.505 0.949 ( 3.924 2.265 24.463) 24.879 1.618 ( 19.962 11.525 20.277) 30.699 3.509 ( 3.292 1.901 -5.304) 6.526 3.661 ( 4.445 2.566 -6.391) 8.196 4.917 ( -4.331 -2.501 2.330) 5.517 5.279 ( 6.725 3.883 5.094) 9.288 5.547 ( 13.493 7.790 -0.736) 15.598 5.637 ( 6.145 3.548 0.585) 7.120 6.644 ( 22.079 12.748 -27.633) 37.597 8.651 ( -4.575 -2.641 6.694) 8.527 9.017 ( -16.300 -9.411 2.411) 18.975 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 6.428 3.711 16.660) 18.239 1.246 ( 13.078 7.551 10.443) 18.360 2.184 ( 23.044 13.305 0.698) 26.618 3.712 ( 13.877 8.012 3.802) 16.469 3.728 ( 2.673 1.543 -3.690) 4.811 4.855 ( -0.878 -0.507 -2.074) 2.309 5.355 ( 1.040 0.601 2.590) 2.855 5.803 ( 7.533 4.349 2.581) 9.073 6.024 ( 21.714 12.537 1.660) 25.128 6.985 ( 15.326 8.849 -20.874) 27.367 8.475 ( -14.047 -8.110 3.164) 16.525 8.638 ( -13.329 -7.695 2.027) 15.524 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 11.981 6.917 4.214) 14.463 1.583 ( 13.200 7.621 4.898) 16.010 2.665 ( 19.040 10.992 -6.082) 22.811 3.762 ( 0.841 0.486 -0.185) 0.988 4.129 ( 18.230 10.525 8.623) 22.748 4.864 ( 2.707 1.563 -6.408) 7.130 5.378 ( -0.103 -0.059 4.995) 4.997 6.004 ( 8.672 5.007 3.863) 10.733 6.432 ( 12.048 6.956 -3.363) 14.313 7.303 ( 16.533 9.545 -5.850) 19.967 8.057 ( -18.461 -10.658 -3.224) 21.559 8.415 ( -8.033 -4.638 0.533) 9.291 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 13.040 7.528 -3.301) 15.415 1.883 ( 11.411 6.588 0.901) 13.207 3.053 ( 16.078 9.282 -5.156) 19.268 3.772 ( -0.285 -0.164 3.246) 3.262 4.550 ( 14.506 8.375 6.304) 17.897 4.932 ( 5.234 3.022 -9.359) 11.140 5.374 ( -2.309 -1.333 6.807) 7.311 6.229 ( 9.159 5.288 4.473) 11.483 6.575 ( 1.725 0.996 -0.740) 2.125 7.644 ( -0.494 -0.285 -21.814) 21.822 7.708 ( 3.840 2.217 12.666) 13.420 8.259 ( -4.577 -2.643 -0.365) 5.298 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 10.164 5.868 -5.720) 13.056 2.119 ( 8.860 5.115 -1.625) 10.358 3.386 ( 13.613 7.859 -4.971) 16.486 3.774 ( -0.937 -0.541 6.079) 6.175 4.814 ( 6.046 3.490 0.888) 7.037 5.036 ( 6.231 3.598 -10.616) 12.824 5.309 ( -4.629 -2.672 8.613) 10.137 6.452 ( 8.255 4.766 4.579) 10.575 6.551 ( -3.171 -1.831 2.488) 4.427 7.446 ( -4.081 -2.356 -13.526) 14.323 7.961 ( 7.367 4.253 2.357) 8.827 8.247 ( 3.903 2.254 0.682) 4.559 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 5.965 3.444 -4.940) 8.476 2.290 ( 6.421 3.707 -2.775) 7.917 3.644 ( 10.165 5.869 -9.643) 15.190 3.766 ( -1.834 -1.059 8.030) 8.304 4.790 ( -6.130 -3.539 -6.397) 9.541 5.142 ( 5.751 3.320 -10.710) 12.602 5.307 ( 1.303 0.752 16.399) 16.468 6.463 ( -4.676 -2.700 -2.202) 5.831 6.632 ( 5.525 3.190 4.429) 7.766 7.350 ( -0.924 -0.534 -7.709) 7.782 8.114 ( 5.840 3.372 2.831) 7.313 8.372 ( 5.041 2.910 -0.803) 5.876 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 3.331 1.923 -3.230) 5.023 2.405 ( 4.244 2.451 -2.926) 5.708 3.735 ( -3.362 -1.941 8.708) 9.535 3.776 ( 4.809 2.777 -17.879) 18.722 4.619 ( -5.069 -2.926 -2.460) 6.349 5.225 ( 4.192 2.420 -10.194) 11.285 5.408 ( 0.954 0.551 18.597) 18.629 6.303 ( -7.079 -4.087 -9.387) 12.447 6.728 ( 1.249 0.721 4.258) 4.495 7.366 ( 3.554 2.052 -1.790) 4.477 8.242 ( 3.611 2.085 3.970) 5.757 8.450 ( 2.101 1.213 -2.588) 3.548 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 3.028 1.748 -1.722) 3.898 2.466 ( 1.592 0.919 -2.461) 3.072 3.663 ( -5.121 -2.957 7.695) 9.705 3.764 ( 0.310 0.179 -19.431) 19.434 4.564 ( 0.055 0.032 0.990) 0.992 5.268 ( 2.270 1.310 -9.361) 9.721 5.433 ( -4.428 -2.557 16.020) 16.816 6.106 ( -5.725 -3.305 -11.364) 13.146 6.714 ( -3.682 -2.126 4.204) 5.979 7.474 ( 5.133 2.963 -0.877) 5.991 8.294 ( -0.388 -0.224 4.198) 4.222 8.465 ( 0.358 0.207 -2.205) 2.244 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 0.287 0.166 -0.612) 0.696 2.450 ( -2.736 -1.579 -1.284) 3.410 3.553 ( -5.761 -3.326 4.761) 8.180 3.699 ( -0.740 -0.427 -12.050) 12.080 4.600 ( 2.744 1.584 -1.370) 3.452 5.271 ( 0.692 0.400 -8.360) 8.398 5.281 ( -12.991 -7.500 11.119) 18.672 6.010 ( 1.316 0.760 -8.372) 8.509 6.588 ( -8.152 -4.707 4.286) 10.343 7.546 ( 0.405 0.234 -4.476) 4.501 8.259 ( -3.165 -1.827 3.632) 5.152 8.483 ( 1.891 1.092 1.043) 2.419 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -0.000 10.226 21.140) 23.483 1.067 ( -0.000 12.938 17.650) 21.884 1.690 ( -0.000 20.257 21.772) 29.738 3.394 ( 0.000 -5.294 -7.588) 9.253 3.696 ( 0.000 10.323 -5.375) 11.638 5.122 ( 0.000 12.337 4.454) 13.116 5.204 ( -0.000 2.523 3.678) 4.460 5.458 ( 0.000 3.421 -1.110) 3.596 5.483 ( -0.000 -4.045 0.004) 4.045 6.611 ( 0.000 25.604 -23.136) 34.508 8.674 ( -0.000 -5.694 6.786) 8.858 9.079 ( -0.000 -10.947 -0.067) 10.947 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 0.081 7.901 19.566) 21.102 1.284 ( 2.990 16.198 13.103) 21.048 2.074 ( 10.302 23.843 3.983) 26.277 3.446 ( 12.714 -2.555 -3.300) 13.382 3.799 ( 0.818 11.308 -1.488) 11.435 5.065 ( -13.620 13.596 2.482) 19.404 5.309 ( 6.423 -1.098 -0.240) 6.521 5.520 ( 11.471 -8.588 -0.259) 14.332 5.839 ( 20.898 16.343 2.891) 26.687 6.816 ( 7.603 13.853 -19.264) 24.916 8.575 ( -5.450 -8.702 4.425) 11.181 8.834 ( -14.177 -8.059 -0.014) 16.307 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 2.971 9.644 10.560) 14.606 1.576 ( 5.955 17.306 7.714) 19.861 2.498 ( 13.342 18.703 -5.932) 23.728 3.667 ( 11.440 -0.980 -4.079) 12.185 3.997 ( 8.944 12.196 7.864) 17.046 5.001 ( -9.348 13.721 -1.026) 16.634 5.376 ( 1.276 0.488 2.805) 3.120 5.717 ( 20.096 -8.983 -0.953) 22.033 6.314 ( 12.643 12.794 -0.532) 17.995 7.069 ( 15.622 7.948 -8.652) 19.547 8.301 ( -16.682 -8.437 -0.431) 18.699 8.528 ( -11.198 -5.055 0.281) 12.289 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 7.850 10.535 1.283) 13.201 1.873 ( 5.400 17.019 3.832) 18.262 2.885 ( 13.988 14.199 -5.441) 20.661 3.773 ( 3.111 1.280 -2.234) 4.038 4.356 ( 14.757 6.898 7.459) 17.916 5.014 ( -4.473 14.310 -4.116) 15.548 5.395 ( -0.377 -1.054 4.821) 4.949 5.999 ( 19.045 -4.341 0.848) 19.552 6.519 ( 4.319 2.198 -2.056) 5.264 7.446 ( 17.508 7.771 -5.734) 19.995 7.909 ( -17.979 -2.398 -0.788) 18.155 8.324 ( -6.863 -4.349 0.011) 8.125 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 8.845 8.968 -3.293) 13.019 2.125 ( 3.237 15.869 1.027) 16.229 3.235 ( 12.659 11.198 -3.839) 17.331 3.816 ( 0.017 2.489 1.878) 3.118 4.653 ( 12.136 1.649 2.571) 12.514 5.077 ( -2.500 10.916 -6.687) 13.043 5.370 ( -2.764 -0.632 5.221) 5.941 6.271 ( 13.498 -2.810 3.493) 14.223 6.564 ( 2.799 -1.285 -0.033) 3.080 7.522 ( -8.937 2.864 -16.529) 19.007 7.871 ( 8.477 4.472 7.294) 12.044 8.224 ( -0.453 -1.102 1.160) 1.663 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 6.516 6.180 -4.162) 9.898 2.314 ( 0.972 14.239 -0.624) 14.286 3.514 ( 9.436 7.936 -5.995) 13.710 3.840 ( -1.894 3.269 5.013) 6.277 4.800 ( 1.090 -1.483 -3.172) 3.667 5.076 ( 1.482 1.881 -6.153) 6.602 5.376 ( -1.638 6.195 7.120) 9.578 6.360 ( 3.214 -9.639 1.926) 10.341 6.677 ( 5.492 8.048 0.569) 9.760 7.363 ( -5.658 1.080 -10.071) 11.602 8.048 ( 6.054 2.802 3.236) 7.415 8.295 ( 5.819 1.221 1.085) 6.044 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 3.482 3.481 -3.267) 5.909 2.448 ( -0.816 12.636 -1.288) 12.727 3.668 ( 4.389 3.241 -11.074) 12.346 3.847 ( -3.743 4.337 5.193) 7.732 4.663 ( -5.940 -4.697 -5.175) 9.172 5.192 ( 5.025 7.273 -5.103) 10.207 5.449 ( 0.005 3.111 12.004) 12.400 6.261 ( -1.664 -10.206 -4.740) 11.375 6.839 ( -0.608 11.947 1.287) 12.031 7.293 ( 1.754 -2.135 -3.842) 4.732 8.189 ( 5.683 1.404 3.984) 7.080 8.392 ( 4.100 -0.146 -1.522) 4.375 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 2.449 1.631 -2.399) 3.796 2.535 ( -2.568 11.147 -1.294) 11.512 3.666 ( -0.225 -1.705 -11.344) 11.474 3.826 ( -5.715 5.607 0.728) 8.039 4.557 ( -0.593 -2.441 -0.687) 2.605 5.298 ( -1.138 10.543 -8.492) 13.585 5.496 ( -0.639 -3.362 15.578) 15.949 6.091 ( -3.841 -7.355 -8.720) 12.037 6.877 ( -7.898 9.480 1.990) 12.498 7.360 ( 8.108 -1.877 -1.134) 8.399 8.280 ( 2.691 -1.153 4.115) 5.051 8.427 ( 2.026 -1.674 -2.561) 3.670 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 2.473 -0.421 -2.072) 3.254 2.567 ( -5.513 8.957 -0.675) 10.539 3.587 ( -1.506 -4.058 -5.026) 6.633 3.768 ( -6.988 6.364 -3.586) 10.109 4.561 ( 2.144 -0.523 -0.443) 2.251 5.315 ( -3.854 8.187 -8.113) 12.154 5.429 ( -7.220 -7.207 12.411) 16.066 5.964 ( -1.153 -1.886 -7.263) 7.591 6.781 ( -11.514 4.192 2.827) 12.576 7.478 ( 5.987 -0.472 -3.338) 6.871 8.285 ( -1.074 -3.227 3.572) 4.932 8.432 ( 2.578 -2.469 -1.012) 3.711 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -0.000 10.358 16.157) 19.192 1.461 ( -0.000 15.769 10.110) 18.732 2.298 ( 0.000 29.670 0.595) 29.676 3.282 ( 0.000 -1.576 -3.004) 3.393 3.911 ( 0.000 12.910 0.185) 12.911 5.145 ( 0.000 -4.579 -5.113) 6.863 5.328 ( -0.000 -4.592 8.778) 9.906 5.623 ( 0.000 25.393 -3.700) 25.661 5.671 ( 0.000 12.821 4.957) 13.746 6.815 ( 0.000 7.044 -12.377) 14.241 8.534 ( -0.000 -10.663 2.686) 10.996 8.879 ( -0.000 -7.631 -3.061) 8.222 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -1.678 10.831 9.999) 14.836 1.693 ( 4.625 16.467 6.893) 18.441 2.577 ( 1.262 25.648 -7.156) 26.657 3.410 ( 13.070 0.900 -1.577) 13.196 4.075 ( 2.153 14.737 5.098) 15.741 5.240 ( 16.009 -4.283 -5.447) 17.444 5.273 ( -2.888 -3.793 7.983) 9.298 5.535 ( -13.602 17.547 -0.843) 22.217 6.207 ( 17.013 17.460 0.955) 24.397 6.885 ( 8.321 1.398 -4.115) 9.388 8.385 ( -5.190 -10.089 -0.571) 11.360 8.691 ( -10.904 -5.211 -4.003) 12.731 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 1.373 11.449 2.792) 11.864 1.987 ( 6.006 17.846 5.306) 19.562 2.849 ( 6.503 19.943 -6.861) 22.070 3.633 ( 11.048 0.938 -4.840) 12.098 4.313 ( 5.214 13.019 8.147) 16.219 5.210 ( -3.651 -0.109 5.998) 7.023 5.494 ( -0.685 6.119 -0.828) 6.213 5.561 ( 16.004 4.519 -3.584) 17.011 6.478 ( 2.998 3.326 -0.871) 4.562 7.178 ( 19.427 5.455 1.186) 20.213 8.150 ( -11.621 -4.806 -3.452) 13.041 8.430 ( -10.819 -3.577 -2.827) 11.740 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 5.109 10.729 -1.296) 11.954 2.274 ( 3.176 18.842 3.774) 19.477 3.155 ( 9.553 15.050 -4.159) 18.305 3.786 ( 6.514 2.649 -3.789) 7.988 4.535 ( 6.178 6.350 5.630) 10.497 5.170 ( -2.217 -2.355 1.566) 3.594 5.517 ( -6.079 13.943 0.402) 15.216 5.935 ( 21.734 -0.392 -0.851) 21.754 6.490 ( 1.141 -3.883 0.525) 4.081 7.521 ( 10.320 3.631 -6.722) 12.841 7.926 ( -8.295 2.920 1.490) 8.920 8.252 ( -4.896 -2.207 -0.708) 5.417 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 5.451 8.595 -2.465) 10.472 2.496 ( -0.588 18.424 2.290) 18.575 3.433 ( 8.360 10.034 -3.862) 13.619 3.900 ( 2.225 5.806 -0.222) 6.222 4.716 ( 7.373 2.618 2.482) 8.208 5.057 ( -3.834 -7.614 -1.771) 8.707 5.571 ( -5.635 16.130 0.337) 17.089 6.206 ( 7.719 -4.440 2.160) 9.163 6.544 ( 11.250 -0.083 -1.576) 11.361 7.496 ( -8.038 2.649 -9.994) 13.096 7.989 ( 5.019 3.502 4.161) 7.401 8.223 ( 2.638 -0.136 1.542) 3.059 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 3.238 5.959 -2.084) 7.095 2.648 ( -3.225 17.184 1.598) 17.557 3.605 ( 4.276 4.763 -6.554) 9.161 3.976 ( -2.002 8.176 1.408) 8.534 4.707 ( -6.994 -4.487 -6.374) 10.473 5.071 ( 11.763 -1.670 5.967) 13.295 5.629 ( -6.687 15.277 0.938) 16.703 6.176 ( -0.931 -7.820 -1.441) 8.006 6.818 ( 14.134 5.081 -1.222) 15.070 7.341 ( -8.802 2.282 -5.199) 10.474 8.114 ( 5.224 1.173 3.544) 6.420 8.302 ( 4.874 -0.997 0.312) 4.985 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 0.845 3.679 -1.498) 4.061 2.748 ( -4.994 15.870 1.576) 16.711 3.630 ( -0.762 -0.012 -9.677) 9.707 4.001 ( -5.290 8.932 0.149) 10.382 4.542 ( -2.658 -4.110 -3.241) 5.870 5.298 ( 9.923 0.232 5.678) 11.435 5.633 ( -9.346 11.336 2.406) 14.888 6.061 ( -2.498 -4.620 -5.572) 7.658 7.090 ( 8.278 9.342 -0.945) 12.518 7.203 ( -5.585 -2.049 -1.729) 6.195 8.213 ( 4.453 -1.741 3.834) 6.129 8.350 ( 3.088 -2.912 -1.448) 4.485 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 0.130 1.877 -1.440) 2.370 2.801 ( -7.196 13.855 1.849) 15.721 3.550 ( -1.715 -2.902 -8.487) 9.131 3.974 ( -7.727 8.786 -1.130) 11.755 4.510 ( 2.058 -1.466 -0.945) 2.698 5.405 ( 1.462 -3.135 2.302) 4.155 5.550 ( -9.779 4.759 4.077) 11.614 5.993 ( -2.956 5.129 -6.201) 8.573 7.039 ( -10.999 0.904 0.518) 11.048 7.323 ( 9.595 3.672 -2.728) 10.630 8.252 ( 1.872 -3.962 3.441) 5.571 8.349 ( 2.126 -4.653 -1.444) 5.315 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -0.000 10.770 5.250) 11.981 1.808 ( 0.000 13.726 2.065) 13.880 2.819 ( 0.000 24.233 -10.982) 26.605 3.311 ( -0.000 4.325 4.271) 6.079 4.235 ( 0.000 16.979 5.462) 17.835 5.012 ( 0.000 -3.815 -7.484) 8.401 5.267 ( -0.000 -6.026 9.585) 11.322 5.980 ( 0.000 13.986 4.550) 14.708 6.170 ( 0.000 27.470 -2.794) 27.612 6.778 ( -0.000 -5.939 1.869) 6.226 8.322 ( -0.000 -9.069 -2.624) 9.441 8.715 ( 0.000 -5.540 -6.682) 8.680 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -1.594 10.095 -0.377) 10.227 2.022 ( 8.263 13.108 0.905) 15.522 2.992 ( -0.209 20.168 -8.975) 22.076 3.471 ( 8.093 5.163 2.566) 9.937 4.438 ( 0.908 15.867 5.742) 16.898 5.087 ( 13.219 -5.384 -5.366) 15.249 5.251 ( 2.049 -3.024 8.998) 9.711 5.938 ( -15.055 19.023 1.265) 24.293 6.477 ( 2.058 6.188 -0.879) 6.580 6.898 ( 17.529 2.471 5.886) 18.655 8.202 ( -3.463 -5.486 -4.205) 7.731 8.561 ( -8.209 -3.910 -6.970) 11.456 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 1.830 9.844 -2.333) 10.281 2.340 ( 10.513 14.089 1.824) 17.674 3.184 ( 3.882 15.792 -5.518) 17.172 3.668 ( 8.055 5.211 -0.536) 9.609 4.588 ( -0.188 8.552 4.538) 9.683 5.141 ( 1.322 -6.456 3.125) 7.293 5.477 ( 19.399 1.156 0.833) 19.452 5.909 ( -9.467 18.301 0.131) 20.605 6.466 ( -1.866 -2.916 1.774) 3.890 7.290 ( 17.283 3.865 1.622) 17.784 8.075 ( -5.787 0.028 -3.617) 6.825 8.352 ( -8.803 -1.439 -4.646) 10.057 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 4.259 8.913 -2.013) 10.081 2.646 ( 5.878 15.082 2.115) 16.324 3.395 ( 6.313 9.738 -2.949) 11.974 3.869 ( 7.819 7.957 -1.286) 11.230 4.663 ( 2.319 1.935 5.005) 5.846 5.057 ( -4.847 -5.911 -1.305) 7.754 5.780 ( 5.874 6.736 3.026) 9.436 6.033 ( 8.069 11.549 -1.797) 14.203 6.408 ( -0.558 -3.022 0.536) 3.120 7.512 ( 5.527 -0.533 -4.033) 6.863 8.014 ( -2.105 4.611 0.309) 5.078 8.229 ( -3.163 0.276 -0.928) 3.308 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 3.574 7.000 -1.222) 7.954 2.858 ( 0.399 14.947 2.169) 15.109 3.558 ( 4.729 4.392 -2.772) 7.024 4.072 ( 3.399 11.308 -0.847) 11.838 4.772 ( 1.365 2.190 -0.841) 2.714 4.863 ( -0.603 -10.593 2.043) 10.806 5.896 ( -1.992 12.078 1.717) 12.361 6.178 ( -5.124 3.915 -0.777) 6.495 6.524 ( 18.015 -1.148 -2.184) 18.183 7.492 ( -4.597 1.969 -4.378) 6.647 8.070 ( 2.370 2.293 1.953) 3.833 8.228 ( 2.081 -0.415 0.873) 2.295 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 1.166 4.786 -0.642) 4.967 2.991 ( -2.806 14.459 2.905) 15.013 3.615 ( 0.174 0.061 -4.686) 4.690 4.189 ( -3.272 12.536 -1.664) 13.062 4.572 ( -8.292 -3.791 -5.665) 10.734 5.051 ( 16.121 -5.704 8.070) 18.910 5.983 ( -8.407 17.874 1.094) 19.782 6.052 ( -4.868 -2.436 -2.748) 6.098 6.823 ( 16.711 -3.316 -2.987) 17.297 7.420 ( -7.219 8.041 -1.864) 10.966 8.133 ( 3.357 -1.464 2.638) 4.514 8.260 ( 2.846 -3.228 0.067) 4.304 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -0.932 2.909 -0.494) 3.094 3.076 ( -5.540 13.859 3.985) 15.448 3.540 ( -3.455 -3.459 -6.164) 7.867 4.207 ( -7.850 12.170 -2.913) 14.772 4.462 ( 0.426 -2.105 -1.407) 2.568 5.250 ( 10.340 -7.853 5.272) 14.013 5.823 ( -13.836 3.220 0.860) 14.232 6.120 ( -1.263 14.731 -3.137) 15.114 6.966 ( 7.835 -10.493 -3.587) 13.578 7.416 ( -5.135 14.394 -0.745) 15.300 8.172 ( 3.268 -4.221 2.825) 6.040 8.256 ( 2.033 -5.779 -0.461) 6.144 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 0.000 8.516 -4.583) 9.671 2.037 ( 0.000 9.585 -3.310) 10.140 3.140 ( 0.000 15.159 -9.681) 17.987 3.504 ( -0.000 9.398 9.269) 13.200 4.607 ( 0.000 13.237 4.144) 13.870 4.902 ( 0.000 -1.975 -7.251) 7.515 5.245 ( -0.000 -1.466 11.211) 11.306 6.284 ( 0.000 13.340 2.700) 13.610 6.508 ( -0.000 -3.067 2.807) 4.158 6.769 ( 0.000 11.915 4.577) 12.764 8.171 ( 0.000 -2.721 -4.893) 5.599 8.564 ( 0.000 -4.138 -8.438) 9.398 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -0.089 7.753 -5.132) 9.299 2.234 ( 12.135 8.868 -3.209) 15.369 3.259 ( 1.458 11.224 -5.836) 12.734 3.661 ( 2.824 9.517 7.086) 12.196 4.692 ( -1.566 3.927 3.222) 5.315 4.971 ( 10.104 -2.380 -4.185) 11.193 5.323 ( 3.676 5.728 7.346) 10.014 6.246 ( -11.446 5.469 5.062) 13.658 6.497 ( -0.302 2.147 2.642) 3.418 7.066 ( 13.544 8.407 1.903) 16.054 8.127 ( -1.960 1.111 -4.464) 5.001 8.448 ( -5.509 -2.329 -7.188) 9.351 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 3.218 7.614 -2.787) 8.723 2.574 ( 15.513 9.125 -1.998) 18.108 3.383 ( 3.765 6.792 -1.609) 7.931 3.837 ( 5.012 8.848 3.157) 10.647 4.675 ( -1.358 -3.314 5.184) 6.301 5.080 ( 1.457 2.198 -4.072) 4.851 5.555 ( 14.799 4.612 2.552) 15.710 6.138 ( -4.840 -0.173 5.549) 7.365 6.522 ( -5.433 10.933 -0.254) 12.212 7.333 ( 11.156 -0.358 0.231) 11.164 8.102 ( -2.571 4.409 -3.011) 5.925 8.313 ( -5.729 0.344 -3.681) 6.819 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 4.141 6.439 -0.977) 7.718 2.897 ( 10.273 9.418 -1.378) 14.005 3.512 ( 4.567 3.352 1.295) 5.811 4.054 ( 9.117 8.389 0.939) 12.425 4.646 ( 2.807 -7.531 6.965) 10.635 5.007 ( -11.216 5.248 -7.575) 14.516 5.881 ( 12.272 3.087 3.647) 13.169 6.154 ( 9.873 -2.902 0.768) 10.319 6.510 ( -10.379 13.893 -0.735) 17.358 7.460 ( 6.099 -2.453 -1.245) 6.691 8.102 ( -1.818 4.116 -1.238) 4.667 8.241 ( -2.761 1.161 -0.452) 3.029 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 2.627 4.469 -0.224) 5.189 3.114 ( 4.239 9.543 0.054) 10.442 3.590 ( 1.475 -0.138 0.201) 1.495 4.289 ( 5.287 8.580 -0.181) 10.080 4.677 ( 4.947 -9.278 4.158) 11.307 4.820 ( -7.738 5.386 -4.456) 10.428 6.020 ( 2.859 2.279 1.844) 4.095 6.355 ( -1.552 3.848 -0.378) 4.166 6.496 ( 7.074 5.497 -1.220) 9.042 7.528 ( 2.242 3.547 -1.142) 4.348 8.104 ( -0.539 0.362 0.216) 0.684 8.214 ( -0.896 -1.465 0.361) 1.755 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 0.199 2.541 -0.087) 2.550 3.257 ( 0.654 9.955 2.118) 10.199 3.548 ( -3.239 -4.388 -2.099) 5.843 4.392 ( 0.757 4.205 -0.158) 4.276 4.550 ( -12.277 8.503 -4.230) 15.522 4.945 ( 15.134 -8.528 4.096) 17.847 6.049 ( -6.162 3.586 -1.840) 7.363 6.286 ( -3.978 6.223 3.832) 8.321 6.711 ( 10.087 -1.290 -4.385) 11.074 7.612 ( -0.961 10.721 -0.515) 10.777 8.094 ( 1.180 -3.365 1.136) 3.743 8.171 ( 0.105 -5.602 0.245) 5.608 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 0.000 6.222 -6.552) 9.036 2.172 ( 0.000 6.628 -3.775) 7.627 3.326 ( 0.000 7.374 -2.718) 7.859 3.766 ( -0.000 9.403 7.362) 11.942 4.717 ( -0.000 -3.925 4.329) 5.844 4.846 ( 0.000 0.426 -3.756) 3.780 5.414 ( 0.000 11.291 4.147) 12.028 6.360 ( -0.000 -11.531 11.169) 16.053 6.545 ( 0.000 11.066 0.543) 11.079 7.065 ( 0.000 11.906 -0.609) 11.922 8.153 ( 0.000 3.862 -4.510) 5.938 8.445 ( 0.000 -2.273 -6.727) 7.100 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 1.772 6.018 -3.268) 7.073 2.356 ( 13.855 5.841 -3.280) 15.390 3.390 ( 1.457 3.600 1.282) 4.090 3.880 ( 1.372 7.068 3.361) 7.946 4.663 ( -1.293 -6.678 5.029) 8.460 4.961 ( 10.942 3.372 -1.788) 11.589 5.532 ( -0.208 10.268 -0.558) 10.286 6.216 ( -6.136 -8.422 9.983) 14.431 6.686 ( 1.874 11.109 -0.067) 11.266 7.198 ( 4.347 4.092 -0.376) 5.982 8.177 ( -1.419 5.841 -3.996) 7.218 8.379 ( -3.133 -0.588 -3.950) 5.076 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 3.901 5.203 -0.622) 6.533 2.699 ( 17.998 5.450 -3.224) 19.079 3.472 ( 3.933 1.225 5.513) 6.882 3.991 ( 4.835 4.242 0.563) 6.457 4.586 ( -1.266 -6.824 4.997) 8.552 5.175 ( 2.330 9.128 -4.909) 10.623 5.658 ( 10.197 4.004 -0.655) 10.974 6.079 ( -3.196 -7.261 7.144) 10.676 6.806 ( -4.180 14.647 -0.168) 15.233 7.290 ( 6.842 -3.617 -0.076) 7.740 8.186 ( -2.789 5.244 -3.228) 6.760 8.314 ( -3.593 1.086 -0.868) 3.853 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 3.781 3.364 0.154) 5.063 3.024 ( 13.451 5.287 -3.509) 14.873 3.562 ( 2.570 -1.047 5.702) 6.341 4.175 ( 12.034 2.844 1.257) 12.429 4.521 ( 0.233 -6.829 4.302) 8.074 5.130 ( -13.412 10.010 -7.393) 18.296 5.982 ( 13.615 4.829 2.899) 14.734 6.026 ( 9.126 -8.865 0.751) 12.745 6.799 ( -12.202 12.048 1.708) 17.233 7.411 ( 10.591 -1.677 0.002) 10.723 8.158 ( -3.798 2.434 -2.207) 5.022 8.259 ( -3.928 0.441 0.228) 3.960 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 0.000 4.972 -1.701) 5.255 2.271 ( 0.000 5.088 -1.517) 5.309 3.408 ( -0.000 0.639 4.836) 4.878 3.931 ( 0.000 3.868 -0.727) 3.936 4.630 ( -0.000 -5.241 3.737) 6.437 4.883 ( -0.000 3.474 3.589) 4.996 5.643 ( 0.000 9.890 -4.766) 10.978 6.219 ( -0.000 -10.353 11.610) 15.556 6.729 ( 0.000 7.095 -1.442) 7.240 7.235 ( 0.000 6.309 -0.846) 6.365 8.241 ( 0.000 6.630 -4.148) 7.821 8.389 ( 0.000 -0.408 -1.949) 1.991 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 2.242 4.213 0.682) 4.821 2.444 ( 13.519 4.400 -0.935) 14.248 3.446 ( 1.951 -0.478 8.972) 9.194 3.959 ( 1.885 0.742 -3.843) 4.345 4.576 ( -2.001 -3.865 3.266) 5.441 5.067 ( 12.564 5.543 4.535) 14.461 5.673 ( -3.049 5.745 -7.810) 10.164 6.103 ( -4.584 -9.002 9.636) 13.961 6.865 ( 7.879 6.166 -1.109) 10.066 7.258 ( -3.287 3.080 -0.353) 4.518 8.273 ( -1.968 5.363 -3.880) 6.906 8.370 ( -1.847 0.689 0.477) 2.028 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 3.302 2.508 1.020) 4.270 2.768 ( 17.715 3.454 -2.399) 18.207 3.522 ( 2.927 -1.395 10.834) 11.309 4.017 ( 7.069 -0.586 -2.303) 7.458 4.513 ( -2.386 -2.586 2.498) 4.315 5.334 ( 2.358 7.514 -2.072) 8.143 5.674 ( 8.572 -1.363 -4.940) 9.987 5.993 ( -1.470 -5.048 7.613) 9.252 7.081 ( 1.125 11.968 0.908) 12.055 7.194 ( 2.363 -5.600 -0.025) 6.078 8.249 ( -4.049 2.850 -3.345) 5.975 8.336 ( -3.532 0.727 1.257) 3.819 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -0.000 4.143 2.564) 4.872 2.362 ( 0.000 3.967 1.192) 4.142 3.461 ( -0.000 -0.118 12.415) 12.415 3.909 ( 0.000 -2.754 -7.637) 8.118 4.582 ( -0.000 -1.457 1.229) 1.906 5.017 ( -0.000 4.668 9.303) 10.409 5.719 ( 0.000 2.511 -11.332) 11.607 6.087 ( -0.000 -9.646 10.646) 14.366 6.805 ( 0.000 1.745 -3.034) 3.500 7.346 ( 0.000 5.426 0.082) 5.426 8.326 ( 0.000 3.737 -3.758) 5.300 8.399 ( -0.000 1.116 2.052) 2.336 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 0.739 3.031 2.446) 3.964 2.523 ( 12.337 3.202 1.007) 12.786 3.523 ( 1.087 0.290 14.335) 14.379 3.878 ( 4.393 -4.177 -6.943) 9.217 4.549 ( -2.398 -0.524 0.904) 2.615 5.212 ( 11.978 3.815 8.184) 15.000 5.641 ( -3.914 -2.137 -12.939) 13.685 6.000 ( -2.734 -6.778 9.061) 11.641 6.900 ( 10.764 -1.652 -2.344) 11.140 7.348 ( -6.064 5.583 1.209) 8.331 8.319 ( -2.402 1.545 -3.528) 4.539 8.401 ( -2.116 0.942 2.409) 3.342 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -0.000 4.153 2.785) 5.000 2.439 ( -0.000 1.961 2.749) 3.377 3.581 ( -0.000 1.649 16.563) 16.645 3.748 ( 0.000 -6.814 -8.888) 11.199 4.572 ( 0.000 0.148 -0.479) 0.501 5.167 ( -0.000 3.130 10.306) 10.771 5.587 ( 0.000 -6.619 -14.221) 15.686 5.997 ( -0.000 -5.642 9.899) 11.394 6.756 ( 0.000 -4.161 -4.088) 5.833 7.460 ( 0.000 4.887 1.933) 5.255 8.334 ( 0.000 -0.597 -3.611) 3.660 8.441 ( -0.000 1.311 2.473) 2.799 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -0.000 0.000 20.005) 20.005 0.975 ( -0.000 0.000 20.005) 20.005 1.626 ( -0.000 0.000 33.456) 33.456 3.486 ( 0.000 -0.000 -8.493) 8.493 3.486 ( 0.000 -0.000 -8.493) 8.493 5.093 ( -0.000 0.000 6.173) 6.173 5.093 ( -0.000 0.000 6.173) 6.173 5.494 ( 0.000 -0.000 -2.524) 2.524 5.494 ( 0.000 -0.000 -2.524) 2.524 6.147 ( 0.000 -0.000 -15.252) 15.252 8.760 ( -0.000 0.000 8.391) 8.391 9.222 ( 0.000 -0.000 -2.873) 2.873 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 6.546 3.780 16.247) 17.920 1.189 ( 5.553 3.206 22.730) 23.617 1.802 ( 8.984 5.187 15.975) 19.048 3.469 ( 6.665 3.848 -2.515) 8.097 3.584 ( 5.301 3.060 -8.695) 10.633 4.950 ( -6.028 -3.480 4.070) 8.063 5.313 ( 3.574 2.063 1.555) 4.410 5.551 ( 16.798 9.698 1.543) 19.458 5.638 ( 7.231 4.175 -0.440) 8.361 6.394 ( 19.327 11.158 -22.160) 31.450 8.722 ( -5.597 -3.232 7.219) 9.690 9.027 ( -14.602 -8.430 -0.364) 16.864 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.805 0.465 20.069) 20.090 1.352 ( 10.485 6.054 10.521) 16.040 2.171 ( 19.005 10.972 -3.132) 22.167 3.671 ( 4.387 2.533 -7.555) 9.096 3.765 ( 16.675 9.628 6.426) 20.299 4.850 ( -3.103 -1.791 0.894) 3.693 5.370 ( 2.084 1.203 0.707) 2.508 5.823 ( 8.396 4.847 1.335) 9.786 6.031 ( 19.706 11.377 -0.667) 22.764 6.787 ( 20.096 11.603 -17.663) 29.163 8.510 ( -16.443 -9.493 3.693) 19.342 8.658 ( -12.993 -7.501 2.010) 15.137 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 6.791 3.921 8.205) 11.349 1.637 ( 11.143 6.434 5.654) 14.054 2.609 ( 18.995 10.967 -4.721) 22.436 3.738 ( 3.097 1.788 -4.637) 5.856 4.214 ( 17.990 10.387 7.877) 22.217 4.816 ( 0.507 0.293 -2.946) 3.003 5.417 ( 1.153 0.665 2.776) 3.078 6.037 ( 9.275 5.355 2.599) 11.020 6.388 ( 11.725 6.769 -5.440) 14.591 7.213 ( 19.053 11.000 -11.161) 24.669 8.059 ( -19.362 -11.179 3.249) 22.593 8.428 ( -8.761 -5.058 2.055) 10.323 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 10.314 5.955 0.273) 11.912 1.899 ( 9.904 5.718 2.135) 11.634 3.014 ( 16.366 9.449 -2.695) 19.089 3.787 ( 1.901 1.097 -0.484) 2.247 4.607 ( 13.015 7.514 4.754) 15.762 4.851 ( 3.694 2.133 -6.532) 7.801 5.425 ( -1.650 -0.953 3.281) 3.794 6.269 ( 9.507 5.489 3.365) 11.482 6.562 ( 4.134 2.387 -1.827) 5.111 7.423 ( -0.571 -0.330 -21.776) 21.786 7.833 ( 2.361 1.363 11.955) 12.262 8.270 ( -4.565 -2.636 2.625) 5.889 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 9.325 5.384 -3.123) 11.211 2.111 ( 7.885 4.553 -0.108) 9.106 3.343 ( 12.311 7.108 -3.388) 14.614 3.824 ( 0.766 0.442 3.734) 3.837 4.813 ( 2.735 1.579 -0.965) 3.302 4.935 ( 5.489 3.169 -9.002) 11.010 5.383 ( -1.453 -0.839 5.994) 6.224 6.494 ( 8.411 4.856 3.720) 10.400 6.559 ( -3.612 -2.086 -0.848) 4.256 7.302 ( -1.038 -0.599 -14.249) 14.299 7.998 ( 5.859 3.383 4.598) 8.180 8.269 ( 3.193 1.843 3.461) 5.057 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 6.194 3.576 -3.695) 8.051 2.269 ( 5.891 3.401 -1.384) 6.941 3.550 ( 6.802 3.927 -8.812) 11.804 3.843 ( -0.831 -0.479 7.045) 7.110 4.728 ( -6.313 -3.645 -5.827) 9.332 5.035 ( 5.598 3.232 -10.249) 12.117 5.458 ( 3.970 2.292 13.363) 14.127 6.417 ( -7.112 -4.106 -6.810) 10.669 6.674 ( 5.585 3.224 3.836) 7.503 7.282 ( 1.937 1.118 -5.509) 5.946 8.150 ( 6.061 3.499 4.248) 8.187 8.368 ( 3.607 2.083 0.045) 4.165 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 3.808 2.199 -3.255) 5.471 2.379 ( 4.026 2.325 -2.171) 5.131 3.604 ( 1.993 1.151 -15.916) 16.081 3.825 ( -3.205 -1.850 8.847) 9.590 4.597 ( -2.813 -1.624 -1.884) 3.754 5.119 ( 4.411 2.547 -10.574) 11.737 5.582 ( 1.315 0.759 15.684) 15.757 6.198 ( -8.304 -4.794 -11.062) 14.639 6.770 ( 1.298 0.749 3.912) 4.189 7.352 ( 4.591 2.651 -1.005) 5.396 8.285 ( 3.593 2.075 4.271) 5.955 8.423 ( 1.621 0.936 -2.590) 3.196 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -0.000 10.381 14.636) 17.943 1.234 ( -0.000 10.839 19.153) 22.007 1.887 ( -0.000 9.529 16.752) 19.273 3.327 ( 0.000 -4.071 -5.500) 6.843 3.639 ( 0.000 12.917 -5.729) 14.130 5.172 ( 0.000 12.549 5.258) 13.606 5.221 ( -0.000 -2.508 -0.364) 2.535 5.462 ( 0.000 7.520 2.020) 7.786 5.483 ( -0.000 -4.271 0.091) 4.272 6.400 ( 0.000 25.462 -18.817) 31.660 8.743 ( -0.000 -7.144 7.009) 10.008 9.066 ( -0.000 -10.534 -2.292) 10.780 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 1.018 9.864 13.435) 16.699 1.433 ( 0.850 7.851 17.919) 19.582 2.087 ( 5.515 18.371 -1.587) 19.246 3.417 ( 13.368 -2.191 -2.810) 13.835 3.788 ( 3.068 14.855 -0.380) 15.173 5.097 ( -15.406 13.966 3.717) 21.124 5.296 ( 8.527 -2.471 -2.067) 9.115 5.512 ( 10.533 -8.193 -1.439) 13.422 5.875 ( 20.062 15.833 4.149) 25.892 6.641 ( 7.932 18.963 -15.396) 25.681 8.620 ( -6.242 -10.892 4.535) 13.348 8.826 ( -12.802 -9.124 -1.496) 15.792 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -0.270 4.892 11.537) 12.534 1.655 ( 4.222 15.880 7.922) 18.241 2.438 ( 13.575 17.657 -5.795) 23.014 3.612 ( 10.401 -0.558 -6.635) 12.349 4.076 ( 11.268 13.289 7.364) 18.915 5.003 ( -11.996 14.225 1.355) 18.657 5.397 ( 2.767 1.161 1.441) 3.329 5.697 ( 21.742 -10.480 -3.113) 24.336 6.305 ( 10.023 12.567 -1.357) 16.132 6.986 ( 16.664 13.726 -7.472) 22.846 8.304 ( -17.117 -10.749 1.000) 20.237 8.534 ( -9.967 -6.659 0.966) 12.026 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 5.136 7.809 3.879) 10.119 1.915 ( 3.744 16.593 4.410) 17.572 2.842 ( 15.065 14.046 -2.955) 20.809 3.733 ( 5.779 1.492 -5.597) 8.182 4.425 ( 12.820 6.473 6.199) 15.642 4.984 ( -7.054 15.031 -1.898) 16.712 5.430 ( 0.191 -0.896 2.073) 2.267 5.999 ( 21.493 -5.306 -0.832) 22.154 6.499 ( 4.490 3.971 -1.834) 6.268 7.349 ( 9.745 9.938 -12.333) 18.597 7.941 ( -12.003 -3.837 6.110) 14.004 8.334 ( -6.211 -5.347 1.981) 8.432 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 7.314 8.011 -0.347) 10.853 2.141 ( 1.814 15.949 2.115) 16.190 3.206 ( 12.394 10.583 -1.926) 16.411 3.819 ( 3.058 2.656 -1.373) 4.277 4.679 ( 9.824 1.521 2.458) 10.241 5.014 ( -4.879 10.993 -5.676) 13.299 5.408 ( -1.384 -0.340 2.223) 2.641 6.297 ( 14.960 -2.934 1.593) 15.328 6.559 ( 2.870 -1.431 -0.867) 3.322 7.357 ( -6.962 6.283 -15.741) 18.323 7.947 ( 5.143 2.429 7.353) 9.297 8.250 ( 0.357 -1.737 4.022) 4.396 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 5.908 6.318 -1.974) 8.872 2.315 ( -0.172 14.684 0.719) 14.702 3.458 ( 7.191 6.623 -5.092) 11.023 3.882 ( 0.445 2.932 3.040) 4.247 4.763 ( -2.612 -2.752 -4.185) 5.649 5.009 ( 0.931 6.979 -6.204) 9.384 5.451 ( 2.452 3.890 6.947) 8.331 6.357 ( 0.587 -10.096 -2.700) 10.467 6.681 ( 6.877 7.455 0.291) 10.147 7.272 ( -3.217 3.213 -7.647) 8.897 8.087 ( 5.930 2.558 4.363) 7.794 8.312 ( 4.388 0.160 2.396) 5.002 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 3.265 4.042 -2.272) 5.671 2.440 ( -1.792 13.401 -0.216) 13.522 3.550 ( 1.272 2.887 -11.416) 11.844 3.908 ( -2.456 2.353 5.971) 6.872 4.614 ( -4.124 -4.108 -4.357) 7.271 5.126 ( 1.395 11.585 -6.750) 13.481 5.574 ( 4.110 0.473 11.626) 12.341 6.195 ( -4.312 -9.471 -8.188) 13.241 6.852 ( 0.428 10.748 1.398) 10.847 7.265 ( 3.545 -1.503 -1.782) 4.243 8.231 ( 5.765 1.274 4.311) 7.310 8.378 ( 2.871 -0.581 -1.134) 3.141 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -0.000 5.728 15.557) 16.578 1.546 ( -0.000 12.825 6.498) 14.377 2.273 ( 0.000 23.815 -5.528) 24.449 3.272 ( -0.000 0.597 1.124) 1.272 3.916 ( 0.000 15.974 0.749) 15.992 5.088 ( 0.000 -5.849 -6.006) 8.383 5.400 ( -0.000 -4.636 4.542) 6.490 5.613 ( 0.000 25.622 2.655) 25.759 5.721 ( 0.000 12.989 4.842) 13.862 6.704 ( 0.000 13.137 -9.603) 16.272 8.559 ( -0.000 -13.447 2.267) 13.637 8.840 ( 0.000 -8.918 -4.472) 9.976 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -2.532 5.648 7.682) 9.865 1.754 ( 5.697 13.646 5.146) 15.658 2.498 ( 1.818 24.149 -8.271) 25.590 3.403 ( 9.882 2.042 0.346) 10.096 4.125 ( 3.874 16.529 4.647) 17.602 5.179 ( 17.882 -5.641 -6.210) 19.753 5.355 ( -3.786 -3.023 7.500) 8.929 5.527 ( -15.580 19.507 -0.354) 24.967 6.222 ( 15.658 15.387 1.827) 22.029 6.857 ( 9.217 7.934 -1.457) 12.248 8.377 ( -5.606 -12.632 -1.138) 13.867 8.648 ( -9.387 -6.868 -4.439) 12.450 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.738 7.889 2.492) 8.306 2.037 ( 6.369 16.495 4.304) 18.198 2.788 ( 8.011 19.905 -5.061) 22.046 3.588 ( 8.949 2.253 -3.919) 10.026 4.384 ( 5.657 12.293 5.782) 14.716 5.265 ( -6.641 1.156 4.899) 8.333 5.477 ( 8.763 1.107 -2.489) 9.177 5.532 ( 8.628 9.820 -1.857) 13.203 6.472 ( 3.119 4.187 -0.367) 5.234 7.190 ( 16.132 8.074 1.066) 18.072 8.120 ( -10.608 -6.296 -2.441) 12.575 8.405 ( -8.590 -5.320 -2.009) 10.302 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 4.625 9.132 0.272) 10.240 2.311 ( 2.696 18.462 3.399) 18.964 3.122 ( 10.380 14.688 -2.204) 18.120 3.744 ( 7.305 3.787 -4.338) 9.302 4.589 ( 5.501 5.777 4.615) 9.216 5.175 ( -5.501 -1.207 -0.361) 5.644 5.519 ( -5.507 13.526 -0.275) 14.607 5.926 ( 23.263 -0.249 -0.964) 23.284 6.495 ( 0.587 -3.274 0.331) 3.343 7.445 ( 2.931 6.056 -7.766) 10.275 7.954 ( -2.638 1.090 3.706) 4.677 8.253 ( -3.017 -3.229 0.941) 4.518 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 5.075 8.280 -0.561) 9.728 2.522 ( -1.208 18.577 2.740) 18.816 3.398 ( 7.310 9.418 -2.861) 12.261 3.890 ( 4.272 6.085 -1.649) 7.616 4.734 ( 3.795 1.630 0.580) 4.171 5.039 ( -3.279 -4.540 -1.110) 5.709 5.576 ( -4.776 15.138 0.273) 15.876 6.213 ( 7.446 -4.616 -0.935) 8.810 6.531 ( 10.901 -0.422 -1.069) 10.961 7.407 ( -7.355 5.284 -7.268) 11.612 8.030 ( 4.658 2.206 3.990) 6.518 8.245 ( 3.106 -1.161 2.706) 4.280 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 2.979 6.257 -0.813) 6.978 2.669 ( -3.901 17.834 2.564) 18.434 3.536 ( 1.727 4.935 -6.869) 8.632 3.989 ( -0.442 6.625 0.970) 6.710 4.643 ( -6.593 -4.801 -6.180) 10.233 5.126 ( 9.860 2.904 5.032) 11.444 5.645 ( -4.444 12.924 1.772) 13.781 6.143 ( -2.978 -7.488 -5.101) 9.537 6.808 ( 14.701 4.218 -0.594) 15.306 7.302 ( -7.529 3.471 -2.545) 8.672 8.151 ( 5.623 0.752 3.654) 6.748 8.306 ( 3.759 -1.612 0.603) 4.135 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 0.000 5.621 2.027) 5.975 1.813 ( 0.000 11.391 -0.894) 11.426 2.707 ( 0.000 23.288 -10.629) 25.599 3.374 ( -0.000 6.222 8.039) 10.165 4.285 ( 0.000 17.986 4.238) 18.478 4.939 ( 0.000 -4.175 -6.926) 8.087 5.353 ( -0.000 -3.913 7.274) 8.260 6.020 ( 0.000 13.503 3.402) 13.925 6.160 ( 0.000 25.094 0.866) 25.109 6.814 ( -0.000 -0.166 5.181) 5.183 8.289 ( -0.000 -10.962 -3.973) 11.660 8.642 ( 0.000 -6.701 -7.597) 10.130 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -1.012 6.987 -2.341) 7.438 2.021 ( 10.203 11.220 -1.163) 15.210 2.907 ( 1.616 20.524 -7.450) 21.894 3.515 ( 3.991 6.897 5.976) 9.960 4.484 ( 1.023 14.893 3.152) 15.257 5.032 ( 15.576 -4.293 -4.967) 16.903 5.339 ( 0.091 -2.513 7.915) 8.305 5.951 ( -16.230 19.542 1.329) 25.437 6.472 ( 3.146 7.210 -0.152) 7.868 6.976 ( 15.406 2.560 9.440) 18.249 8.153 ( -3.224 -6.008 -5.540) 8.785 8.488 ( -6.825 -4.738 -7.347) 11.091 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 2.729 8.610 -1.930) 9.236 2.350 ( 12.270 12.600 0.027) 17.587 3.136 ( 5.227 16.160 -3.700) 17.383 3.675 ( 4.845 7.255 1.887) 8.926 4.622 ( 0.629 8.015 1.851) 8.250 5.160 ( 2.466 -7.883 0.967) 8.317 5.492 ( 17.268 2.409 1.911) 17.539 5.912 ( -10.823 19.633 0.432) 22.423 6.483 ( -2.066 -2.243 1.533) 3.413 7.319 ( 13.969 2.736 4.077) 14.806 8.037 ( -4.197 0.363 -3.987) 5.800 8.307 ( -6.379 -1.970 -4.137) 7.854 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 4.649 8.627 -0.692) 9.825 2.661 ( 6.985 13.924 0.829) 15.599 3.372 ( 6.312 10.399 -1.234) 12.227 3.860 ( 6.580 9.365 -0.447) 11.454 4.704 ( 2.304 3.098 2.427) 4.561 5.041 ( -5.357 -8.201 -1.148) 9.863 5.800 ( 5.316 8.198 1.031) 9.825 6.022 ( 7.439 11.807 -0.568) 13.966 6.413 ( -1.547 -3.441 0.344) 3.789 7.483 ( 2.357 0.720 -1.512) 2.892 8.017 ( 0.450 3.537 0.126) 3.568 8.222 ( -1.241 -0.114 -0.345) 1.293 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 3.594 7.088 -0.127) 7.948 2.879 ( 1.372 14.239 2.017) 14.446 3.531 ( 2.991 5.393 -2.406) 6.619 4.064 ( 3.265 11.561 -0.893) 12.046 4.720 ( -7.916 -0.182 -7.200) 10.702 4.925 ( 8.989 -8.488 8.152) 14.809 5.902 ( -3.186 13.172 -0.601) 13.565 6.166 ( -5.746 4.287 -1.431) 7.311 6.510 ( 17.561 -1.738 -0.696) 17.660 7.461 ( -4.732 3.158 -1.524) 5.890 8.088 ( 3.401 1.409 1.641) 4.030 8.236 ( 2.259 -0.924 0.700) 2.539 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 0.000 6.619 -6.085) 8.991 2.000 ( 0.000 8.962 -3.896) 9.772 3.059 ( 0.000 17.019 -6.335) 18.160 3.602 ( -0.000 9.204 9.769) 13.421 4.641 ( 0.000 12.685 2.463) 12.922 4.839 ( 0.000 -1.413 -5.101) 5.293 5.345 ( -0.000 -1.477 8.429) 8.557 6.304 ( 0.000 12.736 1.199) 12.792 6.522 ( 0.000 5.487 0.494) 5.509 6.860 ( -0.000 3.569 12.891) 13.376 8.114 ( 0.000 -2.268 -6.412) 6.801 8.474 ( 0.000 -3.898 -9.201) 9.992 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 1.313 7.677 -4.371) 8.931 2.200 ( 13.048 8.390 -3.471) 15.896 3.214 ( 1.952 13.296 -3.023) 13.774 3.731 ( 0.970 8.795 6.601) 11.039 4.712 ( -1.608 5.637 0.371) 5.874 4.947 ( 11.305 -2.561 -0.199) 11.593 5.384 ( 2.041 3.309 4.573) 6.002 6.286 ( -11.670 9.687 2.834) 15.429 6.524 ( -1.543 0.983 2.588) 3.169 7.112 ( 13.201 4.420 7.331) 15.733 8.077 ( -1.491 1.898 -5.488) 5.996 8.373 ( -4.346 -1.307 -7.418) 8.696 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 4.076 8.005 -1.300) 9.076 2.550 ( 16.492 8.341 -2.681) 18.675 3.379 ( 4.197 9.155 0.862) 10.108 3.868 ( 3.536 8.249 2.719) 9.378 4.720 ( -0.721 -0.605 3.258) 3.391 5.045 ( 0.271 -1.155 -2.347) 2.629 5.573 ( 14.691 4.089 0.937) 15.278 6.188 ( -6.781 2.330 3.925) 8.174 6.523 ( -5.675 9.716 0.443) 11.261 7.352 ( 9.959 -1.913 3.655) 10.780 8.069 ( -1.521 4.679 -3.594) 6.093 8.276 ( -4.075 1.412 -3.465) 5.532 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 0.000 7.373 -4.006) 8.391 2.139 ( 0.000 7.219 -2.779) 7.736 3.311 ( 0.000 10.003 -0.342) 10.009 3.824 ( -0.000 6.862 4.067) 7.976 4.760 ( -0.000 -2.725 3.985) 4.828 4.829 ( 0.000 2.326 0.700) 2.429 5.438 ( 0.000 7.141 0.672) 7.172 6.464 ( -0.000 -9.292 8.832) 12.820 6.543 ( 0.000 10.536 -0.997) 10.583 7.087 ( -0.000 8.607 5.274) 10.094 8.103 ( 0.000 4.503 -5.258) 6.923 8.377 ( 0.000 -0.164 -6.663) 6.665 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 2.458 7.252 -0.733) 7.692 2.329 ( 13.492 6.453 -2.095) 15.102 3.414 ( 1.815 6.599 3.467) 7.672 3.898 ( 1.414 4.451 0.034) 4.670 4.715 ( -0.967 -6.217 5.144) 8.127 4.964 ( 8.776 4.568 2.483) 10.200 5.508 ( 0.469 7.249 -4.115) 8.349 6.306 ( -7.683 -6.970 7.301) 12.685 6.684 ( 2.149 10.561 -0.328) 10.782 7.214 ( 4.627 1.892 3.660) 6.195 8.133 ( -1.070 6.161 -4.548) 7.732 8.342 ( -2.511 1.663 -3.406) 4.547 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 0.000 6.481 1.354) 6.621 2.262 ( 0.000 6.002 -0.117) 6.003 3.469 ( -0.000 4.006 7.144) 8.190 3.903 ( 0.000 1.065 -4.623) 4.744 4.674 ( -0.000 -6.565 4.933) 8.212 4.942 ( -0.000 5.408 7.866) 9.546 5.572 ( 0.000 7.445 -9.243) 11.869 6.330 ( -0.000 -10.040 10.123) 14.258 6.707 ( 0.000 6.708 -2.773) 7.259 7.242 ( -0.000 4.903 2.338) 5.432 8.196 ( 0.000 6.928 -4.635) 8.335 8.374 ( 0.000 1.967 -1.023) 2.217 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -0.000 0.000 15.937) 15.937 1.157 ( -0.000 0.000 15.937) 15.937 1.931 ( -0.000 0.000 26.677) 26.677 3.403 ( 0.000 -0.000 -7.748) 7.748 3.403 ( 0.000 -0.000 -7.748) 7.748 5.155 ( -0.000 0.000 5.957) 5.957 5.155 ( -0.000 0.000 5.957) 5.957 5.466 ( 0.000 -0.000 -2.979) 2.979 5.466 ( 0.000 -0.000 -2.979) 2.979 5.998 ( 0.000 -0.000 -13.920) 13.920 8.845 ( -0.000 0.000 8.347) 8.347 9.188 ( 0.000 -0.000 -3.829) 3.829 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 4.957 2.862 13.300) 14.479 1.398 ( 9.847 5.685 18.117) 21.389 1.935 ( -2.577 -1.488 10.398) 10.815 3.460 ( 10.701 6.178 0.573) 12.370 3.491 ( 5.209 3.007 -9.480) 11.227 4.997 ( -7.068 -4.081 5.078) 9.613 5.314 ( 1.866 1.077 -0.977) 2.365 5.573 ( 17.710 10.225 2.181) 20.566 5.628 ( 8.173 4.719 -1.524) 9.560 6.199 ( 17.643 10.186 -16.195) 26.025 8.795 ( -6.487 -3.745 7.199) 10.389 9.013 ( -13.131 -7.581 -2.307) 15.337 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 8.617 4.975 9.223) 13.567 1.517 ( -3.785 -2.185 20.142) 20.611 2.125 ( 17.883 10.325 -5.618) 21.400 3.581 ( 5.263 3.039 -9.963) 11.671 3.833 ( 18.187 10.500 6.476) 21.977 4.871 ( -4.690 -2.708 3.242) 6.312 5.374 ( 2.994 1.728 0.204) 3.463 5.830 ( 9.208 5.316 -0.037) 10.633 6.001 ( 17.094 9.869 -5.543) 20.502 6.642 ( 22.732 13.124 -10.698) 28.345 8.547 ( -18.150 -10.479 3.445) 21.239 8.679 ( -11.437 -6.603 2.130) 13.377 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 2.429 1.402 9.989) 10.376 1.695 ( 9.560 5.520 5.677) 12.413 2.574 ( 19.824 11.445 -2.169) 22.993 3.671 ( 5.050 2.915 -8.419) 10.241 4.281 ( 17.319 9.999 5.278) 20.683 4.805 ( -1.504 -0.868 0.697) 1.871 5.435 ( 1.651 0.953 0.905) 2.111 6.056 ( 9.919 5.727 1.128) 11.509 6.324 ( 12.738 7.354 -7.106) 16.335 7.093 ( 16.319 9.422 -12.146) 22.419 8.111 ( -16.934 -9.777 6.348) 20.559 8.457 ( -8.837 -5.102 3.682) 10.848 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 7.597 4.386 3.822) 9.568 1.926 ( 8.690 5.017 3.138) 10.513 3.000 ( 16.374 9.454 -0.105) 18.908 3.761 ( 4.474 2.583 -4.738) 7.010 4.643 ( 11.842 6.837 2.409) 13.885 4.805 ( 1.699 0.981 -2.383) 3.087 5.439 ( -1.353 -0.781 -0.672) 1.701 6.296 ( 9.970 5.756 1.953) 11.677 6.542 ( 6.012 3.471 -1.860) 7.187 7.209 ( -0.230 -0.133 -20.391) 20.393 7.946 ( 0.446 0.257 10.362) 10.375 8.313 ( -4.088 -2.360 5.778) 7.461 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 7.904 4.563 0.429) 9.137 2.117 ( 6.990 4.036 1.423) 8.196 3.318 ( 10.634 6.140 -1.659) 12.391 3.844 ( 3.214 1.856 0.116) 3.713 4.794 ( -0.248 -0.143 -2.764) 2.779 4.861 ( 3.954 2.283 -5.448) 7.109 5.427 ( 2.334 1.348 2.790) 3.880 6.525 ( 8.719 5.034 2.464) 10.365 6.532 ( -5.435 -3.138 -4.690) 7.835 7.171 ( 3.165 1.828 -11.155) 11.739 8.049 ( 4.658 2.689 5.399) 7.620 8.315 ( 1.723 0.995 5.539) 5.886 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -0.000 8.221 9.734) 12.741 1.410 ( -0.000 13.061 15.401) 20.194 2.020 ( -0.000 -1.218 9.336) 9.415 3.287 ( 0.000 -2.080 -2.188) 3.019 3.585 ( 0.000 15.526 -4.821) 16.257 5.201 ( 0.000 -6.220 -3.418) 7.097 5.224 ( 0.000 11.673 4.799) 12.621 5.488 ( -0.000 -2.277 1.149) 2.550 5.494 ( 0.000 10.246 3.965) 10.986 6.232 ( 0.000 25.334 -14.463) 29.172 8.813 ( -0.000 -8.566 6.708) 10.880 9.035 ( -0.000 -10.348 -3.854) 11.042 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 1.783 10.393 7.622) 13.011 1.624 ( 1.189 1.699 18.645) 18.760 2.043 ( 2.603 14.612 -6.917) 16.375 3.388 ( 10.516 -0.931 -2.709) 10.899 3.792 ( 6.200 17.343 0.986) 18.444 5.136 ( -14.443 12.957 3.567) 19.728 5.274 ( 9.634 -3.081 -1.942) 10.299 5.492 ( 7.949 -6.678 -2.243) 10.622 5.917 ( 17.485 15.711 3.764) 23.806 6.510 ( 9.052 22.378 -10.237) 26.221 8.664 ( -6.987 -13.267 4.137) 15.554 8.806 ( -10.771 -9.479 -2.369) 14.542 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -1.080 1.071 8.621) 8.754 1.733 ( 2.568 13.833 7.242) 15.824 2.388 ( 15.357 17.513 -3.537) 23.559 3.539 ( 8.403 0.959 -7.440) 11.265 4.139 ( 12.332 13.701 4.865) 19.064 5.026 ( -13.728 14.101 3.219) 19.942 5.408 ( 3.362 1.545 1.053) 3.847 5.654 ( 23.192 -11.171 -5.278) 26.277 6.288 ( 7.551 13.660 -2.005) 15.736 6.921 ( 15.206 16.906 -5.448) 23.382 8.319 ( -15.734 -12.383 1.981) 20.120 8.548 ( -8.242 -8.080 1.764) 11.676 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 3.870 5.052 4.963) 8.071 1.960 ( 2.735 16.034 4.327) 16.832 2.828 ( 16.077 13.688 0.187) 21.115 3.665 ( 7.005 2.570 -7.611) 10.658 4.477 ( 11.756 6.791 3.797) 14.098 4.976 ( -9.196 14.415 0.397) 17.103 5.435 ( -0.116 -0.907 -1.209) 1.516 5.985 ( 23.646 -5.567 -1.806) 24.360 6.483 ( 4.536 5.636 -1.254) 7.342 7.216 ( 2.519 11.582 -13.507) 17.970 8.015 ( -7.108 -4.865 7.785) 11.611 8.365 ( -4.743 -6.352 4.198) 8.970 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 6.202 6.547 2.466) 9.349 2.167 ( 0.890 15.829 3.021) 16.139 3.198 ( 11.719 9.582 0.321) 15.141 3.789 ( 5.734 3.600 -4.518) 8.139 4.702 ( 7.512 1.769 1.973) 7.966 4.966 ( -6.844 9.701 -3.648) 12.420 5.413 ( 0.184 1.207 -1.240) 1.740 6.302 ( 15.578 -3.707 -0.468) 16.020 6.546 ( 2.225 -1.401 -1.775) 3.172 7.213 ( -5.285 10.065 -12.450) 16.859 8.017 ( 3.301 0.801 6.511) 7.343 8.303 ( 0.953 -2.905 6.313) 7.014 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.000 10.416 1.801) 10.571 1.671 ( -0.000 0.155 12.523) 12.524 2.191 ( 0.000 21.091 -10.245) 23.448 3.305 ( -0.000 2.928 5.432) 6.171 3.923 ( 0.000 18.598 0.387) 18.602 5.026 ( 0.000 -6.554 -6.136) 8.978 5.413 ( 0.000 0.302 -1.173) 1.211 5.682 ( -0.000 21.013 10.208) 23.361 5.766 ( 0.000 12.715 4.016) 13.334 6.623 ( 0.000 18.594 -6.453) 19.682 8.578 ( -0.000 -16.486 1.412) 16.547 8.792 ( 0.000 -9.905 -4.962) 11.079 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -2.256 1.912 2.429) 3.826 1.793 ( 7.250 10.031 2.233) 12.577 2.420 ( 3.787 23.976 -6.668) 25.173 3.421 ( 5.193 4.044 3.333) 7.378 4.162 ( 4.992 17.478 2.432) 18.339 5.118 ( 18.562 -5.971 -5.706) 20.316 5.411 ( -0.468 -2.202 2.886) 3.660 5.540 ( -20.370 20.273 3.568) 28.960 6.243 ( 13.461 13.775 2.242) 19.390 6.855 ( 9.560 14.028 1.042) 17.008 8.362 ( -5.484 -15.402 -1.788) 16.446 8.605 ( -7.322 -8.532 -3.929) 11.910 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 1.594 5.175 0.984) 5.503 2.069 ( 7.496 15.035 1.757) 16.892 2.752 ( 9.952 19.389 -1.961) 21.883 3.559 ( 5.413 4.498 -1.500) 7.196 4.425 ( 6.254 11.689 2.115) 13.424 5.303 ( -5.786 -1.388 2.195) 6.342 5.453 ( 9.331 3.767 -1.658) 10.199 5.521 ( 5.606 11.153 -0.470) 12.491 6.470 ( 3.032 4.832 -0.076) 5.705 7.198 ( 10.781 11.468 0.424) 15.746 8.103 ( -7.600 -8.534 -0.880) 11.462 8.391 ( -5.976 -7.112 -0.733) 9.318 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 4.982 7.628 1.337) 9.208 2.339 ( 3.187 17.785 2.026) 18.181 3.114 ( 11.005 13.792 0.641) 17.656 3.703 ( 6.354 5.690 -3.618) 9.265 4.622 ( 5.843 5.246 1.809) 8.058 5.168 ( -7.791 -1.208 -0.781) 7.922 5.510 ( -5.454 14.338 -1.447) 15.408 5.917 ( 23.397 0.108 -0.693) 23.407 6.494 ( -0.112 -2.912 -0.577) 2.971 7.372 ( -2.029 9.629 -6.466) 11.774 7.995 ( 0.790 -1.332 4.215) 4.490 8.272 ( -0.736 -4.710 2.735) 5.495 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 0.000 1.472 -3.237) 3.556 1.791 ( 0.000 10.121 -3.329) 10.654 2.616 ( 0.000 23.747 -7.009) 24.760 3.468 ( -0.000 7.230 10.269) 12.559 4.316 ( 0.000 18.589 1.729) 18.669 4.875 ( 0.000 -4.058 -5.679) 6.980 5.410 ( -0.000 -1.207 3.948) 4.129 6.047 ( 0.000 12.889 1.982) 13.040 6.189 ( 0.000 21.465 4.753) 21.985 6.881 ( -0.000 6.281 8.173) 10.308 8.241 ( -0.000 -13.246 -5.544) 14.359 8.567 ( 0.000 -8.148 -7.066) 10.785 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 0.474 5.409 -4.222) 6.878 1.998 ( 11.781 10.183 -3.181) 15.894 2.848 ( 2.872 20.901 -3.984) 21.470 3.586 ( 0.669 7.759 7.752) 10.988 4.498 ( 0.694 13.970 -0.375) 13.992 4.992 ( 16.649 -2.814 -2.840) 17.122 5.404 ( -0.491 -1.502 4.802) 5.055 5.966 ( -16.865 19.084 1.748) 25.528 6.474 ( 3.365 7.282 0.575) 8.043 7.085 ( 12.515 4.400 12.130) 17.976 8.090 ( -2.443 -6.808 -7.005) 10.069 8.418 ( -5.013 -6.006 -6.259) 10.019 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 0.000 6.726 -5.989) 9.006 1.961 ( 0.000 9.156 -3.779) 9.905 3.013 ( 0.000 18.337 -2.878) 18.562 3.694 ( -0.000 7.726 8.185) 11.256 4.654 ( 0.000 12.861 0.174) 12.863 4.803 ( 0.000 -0.102 -1.824) 1.827 5.411 ( -0.000 -1.510 4.740) 4.975 6.308 ( 0.000 12.113 -0.391) 12.120 6.528 ( 0.000 7.856 0.937) 7.912 7.016 ( -0.000 0.505 17.691) 17.698 8.040 ( 0.000 -1.238 -8.292) 8.384 8.385 ( 0.000 -4.100 -8.272) 9.232 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -0.000 0.000 10.451) 10.451 1.291 ( -0.000 0.000 10.451) 10.451 2.155 ( -0.000 0.000 17.498) 17.498 3.335 ( 0.000 -0.000 -5.541) 5.541 3.335 ( 0.000 -0.000 -5.541) 5.541 5.211 ( -0.000 0.000 4.903) 4.903 5.211 ( -0.000 0.000 4.903) 4.903 5.436 ( 0.000 -0.000 -2.971) 2.971 5.436 ( 0.000 -0.000 -2.971) 2.971 5.875 ( 0.000 -0.000 -9.937) 9.937 8.926 ( -0.000 0.000 7.585) 7.585 9.145 ( 0.000 -0.000 -4.648) 4.648 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 4.294 2.479 8.867) 10.159 1.542 ( 15.005 8.663 9.991) 20.001 2.016 ( -12.135 -7.006 6.112) 15.287 3.399 ( 4.236 2.446 -8.526) 9.829 3.477 ( 13.985 8.074 2.615) 16.358 5.051 ( -7.535 -4.351 5.487) 10.287 5.301 ( 2.218 1.281 -1.532) 2.985 5.582 ( 14.911 8.609 -0.809) 17.237 5.607 ( 8.930 5.156 -2.603) 10.635 6.077 ( 18.026 10.407 -7.573) 22.149 8.865 ( -7.062 -4.077 6.701) 10.555 8.982 ( -11.972 -6.912 -3.743) 14.322 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 7.672 4.429 6.643) 11.073 1.697 ( -8.365 -4.829 14.158) 17.139 2.072 ( 20.636 11.914 -3.674) 24.110 3.477 ( 5.184 2.993 -10.415) 12.013 3.889 ( 18.420 10.635 4.372) 21.714 4.913 ( -5.571 -3.217 4.812) 8.034 5.379 ( 3.436 1.984 0.975) 4.086 5.822 ( 9.936 5.737 -1.455) 11.565 5.918 ( 15.524 8.963 -10.609) 20.830 6.575 ( 22.648 13.076 -2.846) 26.306 8.576 ( -18.560 -10.716 2.019) 21.526 8.705 ( -9.750 -5.629 3.141) 11.688 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.268 0.155 8.179) 8.185 1.749 ( 8.700 5.023 4.925) 11.188 2.571 ( 20.627 11.909 1.939) 23.897 3.574 ( 6.162 3.558 -10.433) 12.628 4.317 ( 16.631 9.602 1.716) 19.280 4.827 ( -2.860 -1.651 3.644) 4.918 5.435 ( 0.915 0.528 -1.097) 1.522 6.060 ( 10.560 6.097 -0.434) 12.201 6.250 ( 15.213 8.783 -7.119) 18.955 6.977 ( 11.212 6.473 -10.656) 16.768 8.178 ( -13.963 -8.061 6.719) 17.467 8.503 ( -8.203 -4.736 5.495) 10.950 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -0.000 6.425 3.481) 7.307 1.537 ( -0.000 16.557 9.466) 19.072 2.075 ( -0.000 -11.075 1.739) 11.210 3.285 ( -0.000 0.415 1.920) 1.965 3.542 ( 0.000 17.488 -3.727) 17.881 5.158 ( 0.000 -7.956 -4.846) 9.315 5.263 ( 0.000 8.647 2.954) 9.137 5.512 ( -0.000 3.021 3.597) 4.697 5.536 ( 0.000 11.035 4.184) 11.802 6.111 ( 0.000 24.797 -9.314) 26.489 8.877 ( -0.000 -9.759 5.937) 11.423 8.990 ( 0.000 -10.362 -4.987) 11.500 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 3.306 8.527 2.677) 9.529 1.795 ( 0.730 -3.575 14.477) 14.930 1.952 ( 3.956 15.212 -10.425) 18.861 3.367 ( 5.117 1.791 -1.212) 5.555 3.802 ( 9.072 17.955 0.666) 20.128 5.162 ( -5.970 7.685 1.481) 9.843 5.261 ( 5.825 -0.553 -0.621) 5.884 5.473 ( 2.613 -3.707 -1.232) 4.700 5.945 ( 13.084 16.900 1.582) 21.432 6.439 ( 11.647 23.415 -3.683) 26.410 8.699 ( -8.296 -15.715 2.289) 17.918 8.783 ( -7.606 -9.122 -1.710) 12.000 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 0.392 -0.622 3.365) 3.445 1.789 ( 2.188 11.521 3.277) 12.176 2.376 ( 17.561 17.060 1.540) 24.532 3.469 ( 5.145 3.432 -6.143) 8.717 4.169 ( 12.653 13.666 1.144) 18.659 5.066 ( -14.489 13.617 4.640) 20.418 5.418 ( 1.840 1.160 0.638) 2.267 5.594 ( 25.222 -10.611 -6.281) 28.075 6.266 ( 5.867 15.847 -2.294) 17.053 6.877 ( 11.880 17.220 -3.287) 21.177 8.341 ( -13.306 -12.962 2.214) 18.707 8.571 ( -6.126 -9.388 2.845) 11.566 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 0.000 9.007 -2.859) 9.450 1.758 ( -0.000 -8.296 2.967) 8.811 2.089 ( 0.000 24.273 -7.792) 25.493 3.378 ( -0.000 4.866 8.808) 10.063 3.918 ( 0.000 20.397 -1.553) 20.456 4.966 ( 0.000 -6.768 -5.734) 8.871 5.394 ( 0.000 3.360 -1.977) 3.899 5.799 ( -0.000 18.195 12.368) 22.001 5.800 ( 0.000 12.182 2.823) 12.505 6.576 ( 0.000 23.162 -2.686) 23.317 8.586 ( -0.000 -19.524 -0.035) 19.524 8.743 ( -0.000 -10.445 -4.470) 11.361 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -0.000 0.000 3.668) 3.668 1.363 ( -0.000 0.000 3.668) 3.668 2.276 ( -0.000 0.000 6.141) 6.141 3.296 ( 0.000 -0.000 -2.031) 2.031 3.296 ( 0.000 -0.000 -2.031) 2.031 5.248 ( -0.000 0.000 2.196) 2.196 5.248 ( -0.000 0.000 2.196) 2.196 5.411 ( 0.000 -0.000 -1.528) 1.528 5.411 ( 0.000 -0.000 -1.528) 1.528 5.806 ( 0.000 -0.000 -3.635) 3.635 8.992 ( -0.000 0.000 4.815) 4.815 9.099 ( 0.000 -0.000 -3.799) 3.799 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 4.536 2.619 3.083) 6.077 1.590 ( 16.797 9.698 -0.547) 19.403 2.064 ( -14.741 -8.511 3.271) 17.333 3.325 ( 2.524 1.457 -5.838) 6.525 3.507 ( 15.496 8.946 3.264) 18.188 5.106 ( -7.493 -4.326 5.418) 10.209 5.285 ( 4.198 2.423 -1.637) 5.116 5.555 ( 9.077 5.241 -4.259) 11.313 5.576 ( 9.439 5.450 -3.564) 11.467 6.051 ( 20.046 11.574 2.188) 23.250 8.921 ( -6.689 -3.862 1.224) 7.820 8.946 ( -11.633 -6.716 -0.223) 13.435 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/40500 10.0 1007.170 1007.170 1766.243 0.000 -0.000 0.000 3/40500 20.0 344.265 344.265 440.320 0.000 -0.000 0.000 3/40500 30.0 135.437 135.437 138.937 0.000 -0.000 0.000 3/40500 40.0 65.353 65.353 58.082 0.000 -0.000 0.000 3/40500 50.0 38.453 38.453 31.008 0.000 -0.000 0.000 3/40500 60.0 25.967 25.967 19.684 0.000 -0.000 0.000 3/40500 70.0 19.252 19.252 14.022 0.000 -0.000 0.000 3/40500 80.0 15.216 15.216 10.789 0.000 -0.000 0.000 3/40500 90.0 12.576 12.576 8.751 0.000 -0.000 0.000 3/40500 100.0 10.732 10.732 7.366 0.000 -0.000 0.000 3/40500 110.0 9.377 9.377 6.369 0.000 -0.000 0.000 3/40500 120.0 8.340 8.340 5.620 0.000 -0.000 0.000 3/40500 130.0 7.521 7.521 5.035 0.000 -0.000 0.000 3/40500 140.0 6.856 6.856 4.567 0.000 -0.000 0.000 3/40500 150.0 6.306 6.306 4.183 0.000 -0.000 0.000 3/40500 160.0 5.841 5.841 3.861 0.000 -0.000 0.000 3/40500 170.0 5.444 5.444 3.588 0.000 -0.000 0.000 3/40500 180.0 5.100 5.100 3.353 0.000 -0.000 0.000 3/40500 190.0 4.799 4.799 3.149 0.000 -0.000 0.000 3/40500 200.0 4.533 4.533 2.969 0.000 -0.000 0.000 3/40500 210.0 4.296 4.296 2.809 0.000 -0.000 0.000 3/40500 220.0 4.083 4.083 2.666 0.000 -0.000 0.000 3/40500 230.0 3.891 3.891 2.538 0.000 -0.000 0.000 3/40500 240.0 3.717 3.717 2.422 0.000 -0.000 0.000 3/40500 250.0 3.558 3.558 2.316 0.000 -0.000 0.000 3/40500 260.0 3.413 3.413 2.220 0.000 -0.000 0.000 3/40500 270.0 3.280 3.280 2.131 0.000 -0.000 0.000 3/40500 280.0 3.156 3.156 2.050 0.000 -0.000 0.000 3/40500 290.0 3.042 3.042 1.974 0.000 -0.000 0.000 3/40500 300.0 2.936 2.936 1.905 0.000 -0.000 0.000 3/40500 310.0 2.837 2.837 1.840 0.000 -0.000 0.000 3/40500 320.0 2.745 2.745 1.779 0.000 -0.000 0.000 3/40500 330.0 2.659 2.659 1.722 0.000 -0.000 0.000 3/40500 340.0 2.578 2.578 1.669 0.000 -0.000 0.000 3/40500 350.0 2.502 2.502 1.620 0.000 -0.000 0.000 3/40500 360.0 2.430 2.430 1.573 0.000 -0.000 0.000 3/40500 370.0 2.363 2.363 1.529 0.000 -0.000 0.000 3/40500 380.0 2.299 2.299 1.487 0.000 -0.000 0.000 3/40500 390.0 2.239 2.239 1.447 0.000 -0.000 0.000 3/40500 400.0 2.181 2.181 1.410 0.000 -0.000 0.000 3/40500 410.0 2.127 2.127 1.374 0.000 -0.000 0.000 3/40500 420.0 2.075 2.075 1.341 0.000 -0.000 0.000 3/40500 430.0 2.026 2.026 1.309 0.000 -0.000 0.000 3/40500 440.0 1.979 1.979 1.278 0.000 -0.000 0.000 3/40500 450.0 1.934 1.934 1.249 0.000 -0.000 0.000 3/40500 460.0 1.891 1.891 1.221 0.000 -0.000 0.000 3/40500 470.0 1.850 1.850 1.194 0.000 -0.000 0.000 3/40500 480.0 1.811 1.811 1.169 0.000 -0.000 0.000 3/40500 490.0 1.774 1.774 1.145 0.000 -0.000 0.000 3/40500 500.0 1.738 1.738 1.121 0.000 -0.000 0.000 3/40500 510.0 1.703 1.703 1.099 0.000 -0.000 0.000 3/40500 520.0 1.670 1.670 1.077 0.000 -0.000 0.000 3/40500 530.0 1.638 1.638 1.057 0.000 -0.000 0.000 3/40500 540.0 1.607 1.607 1.037 0.000 -0.000 0.000 3/40500 550.0 1.578 1.578 1.017 0.000 -0.000 0.000 3/40500 560.0 1.549 1.549 0.999 0.000 -0.000 0.000 3/40500 570.0 1.522 1.522 0.981 0.000 -0.000 0.000 3/40500 580.0 1.495 1.495 0.964 0.000 -0.000 0.000 3/40500 590.0 1.469 1.469 0.947 0.000 -0.000 0.000 3/40500 600.0 1.445 1.445 0.931 0.000 -0.000 0.000 3/40500 610.0 1.421 1.421 0.916 0.000 -0.000 0.000 3/40500 620.0 1.398 1.398 0.901 0.000 -0.000 0.000 3/40500 630.0 1.375 1.375 0.886 0.000 -0.000 0.000 3/40500 640.0 1.354 1.354 0.872 0.000 -0.000 0.000 3/40500 650.0 1.333 1.333 0.859 0.000 -0.000 0.000 3/40500 660.0 1.312 1.312 0.846 0.000 -0.000 0.000 3/40500 670.0 1.292 1.292 0.833 0.000 -0.000 0.000 3/40500 680.0 1.273 1.273 0.821 0.000 -0.000 0.000 3/40500 690.0 1.255 1.255 0.809 0.000 -0.000 0.000 3/40500 700.0 1.237 1.237 0.797 0.000 -0.000 0.000 3/40500 710.0 1.219 1.219 0.786 0.000 -0.000 0.000 3/40500 720.0 1.202 1.202 0.774 0.000 -0.000 0.000 3/40500 730.0 1.186 1.186 0.764 0.000 -0.000 0.000 3/40500 740.0 1.169 1.169 0.753 0.000 -0.000 0.000 3/40500 750.0 1.154 1.154 0.743 0.000 -0.000 0.000 3/40500 760.0 1.138 1.138 0.733 0.000 -0.000 0.000 3/40500 770.0 1.124 1.124 0.724 0.000 -0.000 0.000 3/40500 780.0 1.109 1.109 0.714 0.000 -0.000 0.000 3/40500 790.0 1.095 1.095 0.705 0.000 -0.000 0.000 3/40500 800.0 1.081 1.081 0.696 0.000 -0.000 0.000 3/40500 810.0 1.068 1.068 0.688 0.000 -0.000 0.000 3/40500 820.0 1.055 1.055 0.679 0.000 -0.000 0.000 3/40500 830.0 1.042 1.042 0.671 0.000 -0.000 0.000 3/40500 840.0 1.029 1.029 0.663 0.000 -0.000 0.000 3/40500 850.0 1.017 1.017 0.655 0.000 -0.000 0.000 3/40500 860.0 1.005 1.005 0.647 0.000 -0.000 0.000 3/40500 870.0 0.994 0.994 0.640 0.000 -0.000 0.000 3/40500 880.0 0.982 0.982 0.633 0.000 -0.000 0.000 3/40500 890.0 0.971 0.971 0.625 0.000 -0.000 0.000 3/40500 900.0 0.960 0.960 0.618 0.000 -0.000 0.000 3/40500 910.0 0.950 0.950 0.612 0.000 -0.000 0.000 3/40500 920.0 0.940 0.940 0.605 0.000 -0.000 0.000 3/40500 930.0 0.929 0.929 0.598 0.000 -0.000 0.000 3/40500 940.0 0.919 0.919 0.592 0.000 -0.000 0.000 3/40500 950.0 0.910 0.910 0.586 0.000 -0.000 0.000 3/40500 960.0 0.900 0.900 0.580 0.000 -0.000 0.000 3/40500 970.0 0.891 0.891 0.574 0.000 -0.000 0.000 3/40500 980.0 0.882 0.882 0.568 0.000 -0.000 0.000 3/40500 990.0 0.873 0.873 0.562 0.000 -0.000 0.000 3/40500 1000.0 0.864 0.864 0.556 0.000 -0.000 0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:54:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|